SCHEMBL1640969

SCHEMBL1640969

Ic1ccc(CN2CCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.74
HRH4 Q9H3N8 1/20 0.65
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.63
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
NCF1 P14598 1/20 0.57
CXCR4 P61073 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL3863339 0.98 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL11201497 0.88 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL4277270 0.85 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL11196296 0.85 HRH3 (0.90) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL7468055 0.83 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL2088589 0.83 HRH3 (0.52) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL16299408 0.83 CHKA (0.75) HRH3KDM4ENCF1
SCHEMBL22711410 0.82 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL3857989 0.82 L3MBTL3 (0.65) HRH3HRH4ALDH1A1MBTD1L3MBTL3
SCHEMBL6057527 0.81 HRH3 (0.81) HRH3HRH4ALDH1A1KDM4EMBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed
EP-2491035-B1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES INC (US) 2017-08-30 EP disclosed
US-9161934-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-10-20 US disclosed
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. 2015-05-07 US disclosed
US-8962652-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-02-24 US disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
EP-2342188-B1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
EP-1186619-B1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition contaning the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-11-29 EP disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US 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 (6 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 HRH3 244/4885HRH4 104/4885ALDH1A1 1289/4885
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF PARP3, PARP1, PARP15 HRH3 3600/4885HRH4 4285/4885ALDH1A1 1787/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 HRH3 153/4885HRH4 100/4885ALDH1A1 3188/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R HRH3 186/4885HRH4 112/4885ALDH1A1 2991/4885
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS ENTPD5, MAVS, TPMT HRH3 1722/4885HRH4 1880/4885ALDH1A1 963/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 HRH3 129/4885HRH4 83/4885ALDH1A1 4302/4885

“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.