SCHEMBL296089

SCHEMBL296089

CNCc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
SLC6A4 P31645 4/20 0.58
SLC6A2 P23975 3/20 0.58
SLC6A3 Q01959 3/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CHRM2 P08172 1/20 0.55
HTR2A P28223 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNH2 Q12809 1/20 0.50
PNMT P11086 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
IDO1 P14902 1/20 0.50

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
SCHEMBL3001718 0.82 PNMT (0.56) TAAR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL31265560 0.82 SLC6A4 (0.57) TAAR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL8016874 0.82 SLC6A4 (0.57) TAAR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL10126680 0.80 SLC6A4 (0.49) TAAR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6072254 0.80 CHRM2 (0.72) TAAR1NPC1RAB9ACHRM2MEN1
SCHEMBL13886573 0.79 SLC6A2 (0.47) TAAR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6869146 0.78 IDO1 (0.58) TAAR1NPC1RAB9ACHRM2MEN1
Iodide SCHEMBL9478324 0.78 CHRM2 (0.69) TAAR1NPC1RAB9ACHRM2MEN1
SCHEMBL2471147 0.77 CHRM2 (0.62) TAAR1NPC1RAB9ACHRM2MEN1
SCHEMBL680414 0.77 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554169-A S-triazine compound with Aurora kinase inhibition activity and application thereof 上海药明康德新药开发有限公司 2023-08-08 CN claimed
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP claimed
US-7834008-B2 neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide H. LUNDBECK A/S (DK) 2010-11-16 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists H. LUNDBECK A/S (DK) 2006-12-14 US claimed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US claimed
EP-1656349-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. Lundbeck A/S (DK) 2006-05-17 EP claimed
WO-2005016884-A9 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2006-03-16 WO claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
WO-2005016884-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2005-02-24 WO claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 US disclosed
EP-0107149-A1 Novel naphthalene derivatives and method for preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1984-05-02 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 (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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R TAAR1 1127/4885SLC6A4 2513/4885SLC6A2 3349/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 TAAR1 90/4885SLC6A4 348/4885SLC6A2 221/4885
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX TAAR1 4007/4885SLC6A4 4850/4885SLC6A2 4848/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ TAAR1 3251/4885SLC6A4 4403/4885SLC6A2 4767/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R TAAR1 104/4885SLC6A4 146/4885SLC6A2 123/4885
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists TACR2, SLC6A3, TACR1 TAAR1 463/4885SLC6A4 153/4885SLC6A2 141/4885

“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.