SCHEMBL12163955

SCHEMBL12163955

CCNC(=O)c1cccc(C)n1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.69
GRM5 P41594 2/20 0.60
CNR1 P21554 1/20 0.50
CTSA P10619 2/20 0.48
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.46
CHRNA7 P36544 2/20 0.45
CHRNA10 Q9GZZ6 2/20 0.45
CHRNA9 Q9UGM1 2/20 0.45
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
PARP1 P09874 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL19661316 0.89 LMNA (0.56) P2RX7CNR1KDM4ENPSR1LMNA
SCHEMBL22811277 0.84 P2RX7 (0.67) P2RX7GRM5CTSALMNACHRNA7
SCHEMBL6451392 0.84 P2RX7 (0.67) P2RX7GRM5CNR1CTSAKDM4E
SCHEMBL14875786 0.83 P2RX7 (0.61) P2RX7GRM5CTSALMNACHRNA7
SCHEMBL10707099 0.83 P2RX7 (0.65) P2RX7GRM5CTSAKDM4ELMNA
SCHEMBL28220099 0.82 KDM4E (0.61) P2RX7CNR1KDM4ELMNAHPGD
SCHEMBL22485568 0.82 BRD4 (0.55) P2RX7CNR1KDM4ENPSR1LMNA
SCHEMBL18247275 0.82 P2RX7 (0.64) P2RX7CNR1KDM4ENPSR1LMNA
SCHEMBL314520 0.81 P2RX7 (1.00) P2RX7GRM5CTSACHRNA7CHRNA10
SCHEMBL22802572 0.81 P2RX7 (0.63) P2RX7GRM5CTSALMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11641857-B2 Unusually potent ABA receptor pan-antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
US-20200397000-A1 UNUSUALLY POTENT ABA RECEPTOR PAN-ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-24 US disclosed
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-20200369658-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-11-26 US disclosed
US-10774078-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2020-09-15 US disclosed
EP-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 EP disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
US-20190330202-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2019-10-31 US disclosed
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
WO-2016187308-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2016-11-24 WO disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 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 (11 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-10774078-B2 Compounds UCHL1, UCHL3, UCHL5 P2RX7 4400/4885GRM5 4263/4885CNR1 2871/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 P2RX7 460/4885GRM5 83/4885CNR1 33/4885
US-20200397000-A1 UNUSUALLY POTENT ABA RECEPTOR PAN-ANTAGONISTS AAK1, ATP5PO, BROX P2RX7 247/4885GRM5 1022/4885CNR1 29/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 P2RX7 112/4885GRM5 613/4885CNR1 207/4885
US-11641857-B2 Unusually potent ABA receptor pan-antagonists AAK1, ATP5PO, BROX P2RX7 247/4885GRM5 1022/4885CNR1 29/4885
US-20200369658-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 P2RX7 4301/4885GRM5 4371/4885CNR1 2723/4885
US-20190330202-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 P2RX7 4301/4885GRM5 4371/4885CNR1 2723/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 P2RX7 4301/4885GRM5 4371/4885CNR1 2723/4885
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 P2RX7 112/4885GRM5 613/4885CNR1 207/4885
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 P2RX7 112/4885GRM5 613/4885CNR1 207/4885
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 P2RX7 112/4885GRM5 613/4885CNR1 207/4885

“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.