SCHEMBL3955825

SCHEMBL3955825

Cc1ccc(C#Cc2ccccc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
KMT2A Q03164 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
SCHEMBL30833070 1.00 GRM5 (0.54) GRM5NPC1RAB9ASMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL4309309 0.98 GRM5 (0.53) GRM5NPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL14129682 0.88 GRM5 (0.53) GRM5HDAC6
SCHEMBL31673355 0.82 GRM5 (0.58) GRM5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14129684 0.81 GRM5 (0.46) GRM5HDAC6
SCHEMBL12353122 0.80 GRM5 (0.59) GRM5
SCHEMBL24230073 0.80 GRM5 (0.54) GRM5SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL12017612 0.80 GRM5 (0.50) GRM5ALDH1A1
SCHEMBL4710109 0.80 GRM5 (0.55) GRM5
SCHEMBL4147154 0.79 MCHR1 (0.53) GRM5APP

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040994-B2 Cobalt complexes, process for preparation and use thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-06-22 US disclosed
US-20200223880-A1 COBALT COMPLEXES, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-07-16 US disclosed
US-9981043-B2 Analgesic conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-05-29 US disclosed
US-9981043-B2 Analgesic conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-05-29 US disclosed
US-20150374836-A1 ANALGESIC CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-12-31 US disclosed
US-20150374836-A1 ANALGESIC CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-12-31 US disclosed
WO-2014124317-A1 ANALGESIC CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-08-14 WO disclosed
US-7531541-B2 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders VANDERBILT UNIVERSITY (US) 2009-05-12 US disclosed
US-20070208028-A1 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders VANDERBILT UNIVERSITY 2007-09-06 US disclosed
WO-2007035823-A2 PARTIAL MGLUR5 ANTAGONISTS AND METHODS OF USE THEREOF MOLECULAR NEUROIMAGING, LLC (US) 2007-03-29 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 (4 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-20150374836-A1 ANALGESIC CONJUGATES OPRL1, OPRK1, GRM5 GRM5 3/4885NPC1 2233/4885RAB9A 1896/4885
US-20200223880-A1 COBALT COMPLEXES, PROCESS FOR PREPARATION AND USE THEREOF MAPT, PSEN1, PSEN2 GRM5 1926/4885NPC1 126/4885RAB9A 2288/4885
US-20070208028-A1 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders GRM5, GRIK5, GRM1 GRM5 1/4885NPC1 1094/4885RAB9A 967/4885
US-11040994-B2 Cobalt complexes, process for preparation and use thereof MAPT, PSEN1, PSEN2 GRM5 1926/4885NPC1 126/4885RAB9A 2288/4885

“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.