SCHEMBL7344869

SCHEMBL7344869

NN1CCC(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 9/20 0.55
GRIN2B Q13224 2/20 0.53
DRD2 P14416 1/20 0.53
SIGMAR1 Q99720 4/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49

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
SCHEMBL20882044 0.87 SLC18A3 (0.47) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL13068163 0.87 SLC18A3 (0.47) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
Tert-Butyl Formate SCHEMBL27584376 0.80 DRD2 (0.42) SLC18A3GRIN2BDRD2SIGMAR1CARM1
SCHEMBL6827484 0.78 PARP10 (0.44) GRIN2BDRD2ALDH1A1
SCHEMBL28130860 0.78 SLC18A3 (0.53) SLC18A3DRD2TSHRSMN1; SMN2ALDH1A1
SCHEMBL16312224 0.78 TP53 (0.47) CYP1A2
SCHEMBL27481274 0.78 DRD2 (0.58) SLC18A3DRD2MEN1KMT2A
SCHEMBL19101372 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL96849 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL18123291 0.77 GRIN2B (0.56) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555063-B1 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
WO-2018108704-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 WO disclosed
EP-2057156-B1 2-METHYLMORPHOLINE PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARM LTD (GB) 2017-02-01 EP disclosed
EP-3091012-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Centrexion Therapeutics Corporation (US) 2016-11-09 EP disclosed
EP-2379525-B1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP disclosed
EP-2813503-A1 A process for the production of new CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-17 EP disclosed
US-20120329661-A1 Isotope Labeling-Assisted Quantification (iLAQ) of Biological Compounds MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2012-12-27 US disclosed
CN-101696187-B Synthesizing method of N-substituent-1,2,3,6-tetrahydropyridine XUZHOU COLLEGE IND TECHNOLOGY 2011-09-07 CN disclosed
CN-101696187-A Synthesizing method of N-substituent-1,2,3,6-tetrahydropyridine XUZHOU COLLEGE OF IND TECHNOLO 2010-04-21 CN disclosed
WO-1993008206-A1 NOVEL 2,6-DISUBSTITUTED PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-04-29 WO disclosed
US-5013742-A Analgesics, Anesthetics, Narcotic Antagonists BOC, INC. (US) 1991-05-07 US disclosed
US-4921864-A 4-Phenyl-4-(N-(phenyl)amido) piperidine derivatives and pharmaceutical compositions and method employing such compounds BOC, INC. (US) 1990-05-01 US disclosed
EP-0315405-A1 4-phenyl-4-(N-(2-fluorophenyl)amido) piperidine derivatives Ohmeda Pharmaceutical Products Division Inc. (US) 1989-05-10 EP disclosed
US-4791121-A ANALGESICS THE BOC GROUP, INC. (US) 1988-12-13 US disclosed
US-4694016-A ISOXAZOLES, PARASITIC WORMS; MAMMALS BIRDS INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1987-09-15 US disclosed
EP-0144853-A2 Semicarbazide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed
EP-0042570-B1 20-DEOXYROSARAMICIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1983-10-19 EP disclosed
EP-0042570-A1 20-Deoxyrosaramicin derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1981-12-30 EP disclosed
US-4279896-A Novel 20-imino macrolide antibacterial agents SCHERING CORPORATION (US) 1981-07-21 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 (1 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-20120329661-A1 Isotope Labeling-Assisted Quantification (iLAQ) of Biological Compounds SRMS, QPCTL, NUP155 SLC18A3 3176/4885GRIN2B 4537/4885DRD2 2187/4885

“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.