SCHEMBL2604301

SCHEMBL2604301

O=C1Nc2ccccc2CC12CCNCC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 7/20 0.54
BACE1 P56817 1/20 0.45
AHR P35869 1/20 0.43
PDK2 Q15119 1/20 0.43
NPC1 O15118 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 1/20 0.40
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2C P28335 1/20 0.36
OPRM1 P35372 1/20 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
SCHEMBL31415640 1.00 OTUD7B (0.54) OTUD7BBACE1AHRPDK2NPC1
Hydrochloric Acid SCHEMBL3185718 0.98 OTUD7B (0.52) OTUD7BBACE1AHRPDK2NPC1
SCHEMBL20721863 0.90 OTUD7B (0.51) OTUD7BBACE1AHRPDK2NPC1
SCHEMBL29561497 0.90 OTUD7B (0.51) OTUD7BBACE1AHRPDK2NPC1
SCHEMBL14941425 0.89 OTUD7B (0.59) OTUD7BBACE1AHRPDK2NPC1
SCHEMBL30293249 0.89 OTUD7B (0.59) OTUD7BBACE1AHRPDK2NPC1
Hydrochloric Acid SCHEMBL30293248 0.87 OTUD7B (0.57) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL14941419 0.86 OTUD7B (0.56) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL24204269 0.83 OTUD7B (0.54) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL6636724 0.81 OTUD7B (0.49) OTUD7BBACE1AHRPDK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-1799672-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-02 EP disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7834000-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 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 (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-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH OTUD7B 752/4885BACE1 431/4885AHR 4794/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 OTUD7B 2119/4885BACE1 3420/4885AHR 3754/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 OTUD7B 1986/4885BACE1 3511/4885AHR 3619/4885
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES CALCRL, CALCR, CALCA OTUD7B 4218/4885BACE1 511/4885AHR 2536/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA OTUD7B 4135/4885BACE1 550/4885AHR 2700/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL OTUD7B 4016/4885BACE1 369/4885AHR 2591/4885

“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.