SCHEMBL425866

SCHEMBL425866

Clc1cc2c(cn1)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
GRM5 P41594 2/20 0.35
MAOB P27338 1/20 0.35
CDC25B P30305 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29383919 1.00 NOS3 (0.56) NOS3NOS1NOS2SIGMAR1SMN1; SMN2
SCHEMBL20687400 0.98 NOS3 (0.54) NOS3NOS1NOS2SIGMAR1SMN1; SMN2
SCHEMBL22369571 0.95 NOS3 (0.50) NOS3NOS1NOS2SIGMAR1SMN1; SMN2
SCHEMBL28935880 0.79 DRD2 (0.43) CHRNB2CHRNA4MAOBNPSR1
SCHEMBL29972733 0.76 SMN1; SMN2 (0.38) NOS3NOS1NOS2SMN1; SMN2MAPT
SCHEMBL26352907 0.76 SMN1; SMN2 (0.38) NOS3NOS1NOS2SMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL9851492 0.73
SCHEMBL12691564 0.73 PNMT (0.52) MAOB
SCHEMBL12090705 0.73 PNMT (0.47) CHRNB2CHRNA4MAOB
SCHEMBL17398633 0.73 PIK3CD (0.33) NOS3NOS1NOS2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539147-A Preparation method of 3-halogenated-5, 6,7, 8-tetrahydroisoquinoline 苏州美诺医药科技有限公司 2022-05-27 CN claimed
CN-108658860-B Preparation method of 3-chloro-5, 6,7, 8-tetrahydroisoquinoline 成都睿智化学研究有限公司 2020-11-27 CN claimed
EP-4630404-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2025-10-15 EP disclosed
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
WO-2025096869-A1 PYRROLO-ISOQUINOLINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2025-05-08 WO disclosed
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
WO-2024121048-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO disclosed
CN-114539147-B Preparation method of 3-halogenated-5, 6,7, 8-tetrahydroisoquinoline 苏州美诺医药科技有限公司 2024-03-22 CN disclosed
CN-117229208-B Condensed ring compound, preparation method and medical application thereof 上海泽德曼医药科技有限公司 2024-02-23 CN disclosed
CN-117229208-A Condensed ring compound, preparation method and medical application thereof 上海泽德曼医药科技有限公司 2023-12-15 CN disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
WO-2010083384-A2 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2010-07-22 WO disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO 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-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR USP1, USP2, USP3 NOS3 2576/4885NOS1 1083/4885NOS2 2787/4885
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB NOS3 484/4885NOS1 297/4885NOS2 304/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 NOS3 3556/4885NOS1 3314/4885NOS2 1754/4885

“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.