SCHEMBL97169

SCHEMBL97169

[CH2]c1ccc(OC(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.47
ALDH1A1 P00352 8/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 3/20 0.45
ATM Q13315 2/20 0.45
ALOX15 P16050 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45
CCR6 P51684 1/20 0.45
GFER P55789 1/20 0.45
ADAM17 P78536 1/20 0.45
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SLC6A4 P31645 1/20 0.39
MAPK1 P28482 1/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL11065049 0.86 DRD1 (0.56) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL2536969 0.79 DRD1 (0.47) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL2539666 0.78 LMNA (0.44) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL13264261 0.78 DRD1 (0.68) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL8266849 0.76 ALDH1A1 (0.49) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL24261088 0.74 DRD1 (0.47) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL5805632 0.74 DRD1 (0.47) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL181946 0.74 DRD1 (0.47) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL157708 0.74 ALOX15 (0.50) DRD1ALDH1A1MEN1KMT2AHTT
SCHEMBL12444149 0.74 ALOX15 (0.50) DRD1ALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 CN claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
US-10154995-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-12-18 US claimed
EP-3089788-B1 SERINE/THREONINE KINASE INHIBITORS GENENTECH INC (US) 2018-10-24 EP claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
CN-107652204-A A kind of epoxides grafting hydrazine reduction prepares and the method for dispersed graphite alkene 山东理工大学 2018-02-02 CN claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-20170348310-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-07 US claimed
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 US claimed
EP-1556372-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2005-07-27 EP claimed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US claimed
WO-2005007645-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS THERAVANCE, INC. (US) 2005-01-27 WO claimed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US claimed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO claimed
US-20040122014-A1 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects THERAVANCE BIOPHARMA R&D IP, LLC 2004-06-24 US claimed
WO-2004041806-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-05-21 WO claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed

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

For each of this compound's patents that has machine-readable text (7 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-20040122014-A1 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects CHRM2, CHRM1, CHRM3 DRD1 224/4885ALDH1A1 1429/4885MEN1 2804/4885
US-10154995-B2 Serine/threonine kinase inhibitors MAP3K1, TTBK1, MAP3K11 DRD1 4842/4885ALDH1A1 3719/4885MEN1 1352/4885
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 DRD1 265/4885ALDH1A1 1154/4885MEN1 2797/4885
US-20170348310-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, TTBK1, MAP3K11 DRD1 4842/4885ALDH1A1 3719/4885MEN1 1352/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP DRD1 4514/4885ALDH1A1 2611/4885MEN1 3887/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 DRD1 2567/4885ALDH1A1 143/4885MEN1 1638/4885
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition DPP8, DPP4, DPP7 DRD1 871/4885ALDH1A1 249/4885MEN1 4324/4885

“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.