SCHEMBL434059

SCHEMBL434059

Clc1ccc([C]2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
SLC6A3 Q01959 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SLC6A2 P23975 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS2 P35354 4/20 0.41
SIGMAR1 Q99720 1/20 0.39
PTGS1 P23219 2/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL8125538 1.00 HTT (0.44) HTTHPGDLMNACYP2A6SLC6A3
SCHEMBL218474 0.97 LMNA (0.44) HTTHPGDLMNACYP2A6SLC6A3
SCHEMBL435618 0.92 LMNA (0.44) HTTHPGDLMNACYP2A6SLC6A3
SCHEMBL315185 0.86 LMNA (0.50) LMNACYP2A6CYP1A2PTGS2SIGMAR1
SCHEMBL10535630 0.74 MAPK14 (0.43) KDM4EPTGS2PTGS1NPC1PKM
SCHEMBL6208982 0.74 ALDH1A1 (0.44) HPGDLMNACYP2A6SMN1; SMN2ALDH1A1
SCHEMBL19993871 0.74 ESR1 (0.50) HTTHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL7418275 0.74 TSHR (0.42) SLC6A3SLC6A2ALDH1A1PTGS2PTGS1
SCHEMBL10703006 0.74 HPGD (0.46) HPGDLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1176222 0.74 ALDH1A1 (0.50) HTTHPGDLMNASMN1; SMN2ALDH1A1

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
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US claimed
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US claimed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US claimed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
EP-3515914-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BeiGene, Ltd. (KY) 2019-07-31 EP disclosed
CN-109715147-A Anti-malarial compositions and uses thereof 斯克利普斯研究院 2019-05-03 CN disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
CN-104628555-B A kind of synthetic method of pharmaceutical intermediate 4-(4-chlorphenyl) cyclohexyl-1-formic acid 烟台蓓丰医药科技有限公司 2016-11-30 CN disclosed
US-8846949-B2 Pyrrolopyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-09-30 US disclosed
US-20140051688-A1 PYRROLOPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-02-20 US disclosed
CN-1333759-A Acrylonitrile compounds NISSAN CHEMICAL IND LTD (JP) 2002-01-30 CN disclosed
EP-1142882-A1 ACRYLONITRILE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed
CN-1216530-A Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 1999-05-12 CN disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP disclosed
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 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 (3 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-20140051688-A1 PYRROLOPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1A, CACNA1B, CACNA1E HTT 1650/4885HPGD 663/4885LMNA 1388/4885
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R HTT 359/4885HPGD 2000/4885LMNA 4318/4885
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R HTT 597/4885HPGD 1035/4885LMNA 2698/4885

“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.