SCHEMBL1215032

SCHEMBL1215032

[c]1c(-c2ccc3ccccc3n2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.46
NPC1 O15118 11/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
AR P10275 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 9/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
HSD17B10 Q99714 4/20 0.43
PKM P14618 4/20 0.43
HPGD P15428 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
PMP22 Q01453 2/20 0.43
HCRTR1 O43613 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4722546 0.84 RAB9A (0.42) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL18317226 0.82 RAB9A (0.40) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL18317174 0.80 HPRT1 (0.42) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL18317225 0.77 RAB9A (0.42) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL10742470 0.77 KDM4E (0.39) CYP1A2ALDH1A1KDM4EHPGDMAPT
SCHEMBL30883993 0.77 RAB9A (0.61) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL239122 0.77 CYP2A6 (0.37) CYP3A4CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL30883995 0.77 RAB9A (0.61) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL29374931 0.75 RAB9A (0.64) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL170196 0.75 RAB9A (0.64) RAB9ANPC1CYP3A4CYP1A2AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 US disclosed
US-20150150819-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS MERCK SHARP & DOHME CORP. 2015-06-04 US disclosed
US-20150126554-A1 METHODS OF PREVENTING AND TREATING GASTROINTESTINAL DYSFUNCTION ADOLOR CORPORATION 2015-05-07 US disclosed
US-8946262-B2 Methods of preventing and treating gastrointestinal dysfunction ADOLOR CORPORATION (US) 2015-02-03 US disclosed
US-20140303211-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-10-09 US disclosed
US-20140057947-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2014-02-27 US disclosed
US-8598207-B2 Compositions containing opioid antagonists ADOLOR CORPORATION (US) 2013-12-03 US disclosed
US-8404693-B2 Substituted piperidine compounds and methods of their use ADOLOR CORPORATION (US) 2013-03-26 US disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
WO-2005117873-A2 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2005-12-15 WO disclosed
US-20050272776-A1 Such as alvimopan and active metabolite, with improved solubility and bioavailability for oral or parenteral administration, injectable dosage formulations, kits; lyophilization; vacuum drying; storage stability ADOLOR CORPORATION (US) 2005-12-08 US disclosed
US-20050148630-A1 Methods of preventing and treating non-opioid induced gastrointestinal dysfunction GLAXO GROUP LIMITED (GB) 2005-07-07 US disclosed
WO-2005055953-A2 METHODS OF PREVENTING AND TREATING GASTROINTESTINAL DYSFUNCTION ADOLOR CORPORATION (US) 2005-06-23 WO disclosed
WO-2005056011-A1 METHODS OF PREVENTING AND TREATING NON-OPIOID INDUCED GASTROINTESTINAL DYSFUNCTION ADOLOR CORPORATION (US) 2005-06-23 WO disclosed
US-20050124657-A1 Administering aryl piperidine compound before surgery to treat gastrointestinal disorders and to relieve stress associated with surgery MERCK SHARP & DOHME LLC 2005-06-09 US disclosed
WO-2004082623-A2 SUBSTITUTED PIPERIDINE COMPOUNDS ADOLOR CORPORATION (US) 2004-09-30 WO disclosed
US-20040186135-A1 Substituted piperidine compounds CUBIST PHARMACEUTICALS, INC. 2004-09-23 US disclosed
EP-0919544-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1999-06-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140057947-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRL1, OPRM1 RAB9A 3478/4885NPC1 2981/4885CYP3A4 146/4885
US-20040186135-A1 Substituted piperidine compounds OPRK1, OPRD1, OPRM1 RAB9A 1123/4885NPC1 992/4885CYP3A4 374/4885
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 RAB9A 1464/4885NPC1 2628/4885CYP3A4 379/4885
US-20150126554-A1 METHODS OF PREVENTING AND TREATING GASTROINTESTINAL DYSFUNCTION VIP, FABP2, SI RAB9A 3674/4885NPC1 4447/4885CYP3A4 384/4885
US-20050272776-A1 Such as alvimopan and active metabolite, with improved solubility and bioavailability for oral or parenteral administration, injectable dosage formulations, kits; lyophilization; vacuum drying; storage stability OPRK1, LPXN, OPRM1 RAB9A 2417/4885NPC1 2643/4885CYP3A4 143/4885
US-20050124657-A1 Administering aryl piperidine compound before surgery to treat gastrointestinal disorders and to relieve stress associated with surgery PNMT, VIP, PREP RAB9A 2038/4885NPC1 4148/4885CYP3A4 215/4885
US-20140303211-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRL1, OPRM1 RAB9A 3478/4885NPC1 2981/4885CYP3A4 146/4885
US-20150150819-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRM1, OPRD1 RAB9A 2082/4885NPC1 1473/4885CYP3A4 55/4885
US-20050148630-A1 Methods of preventing and treating non-opioid induced gastrointestinal dysfunction SLC10A2, OPRK1, FABP2 RAB9A 1891/4885NPC1 493/4885CYP3A4 281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.