SCHEMBL4484041

SCHEMBL4484041

Cc1nc(C(F)(F)F)ccc1CBr

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CXCR4 P61073 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MBOAT4 Q96T53 3/20 0.35
GAA P10253 1/20 0.35
TKT P29401 1/20 0.35
CNR1 P21554 5/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PRMT6 Q96LA8 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL5265318 0.82 LMNA (0.40) KDM4ECXCR4TRPV1LMNANPC1
SCHEMBL23269412 0.82 LMNA (0.40) KDM4ECXCR4TRPV1LMNANPC1
SCHEMBL12993558 0.81 TRPV1 (0.39) KDM4ECXCR4TRPV1LMNANPC1
SCHEMBL2866080 0.81 TKT (0.40) KDM4ECXCR4TRPV1LMNANPC1
SCHEMBL2870247 0.81 KDM4E (0.39) KDM4ECXCR4TRPV1LMNANPC1
SCHEMBL404270 0.81 KDM4E (0.39) KDM4ECXCR4TRPV1LMNANPC1
SCHEMBL19771944 0.79 KDM4E (0.38) KDM4ECXCR4TRPV1LMNANPC1
SCHEMBL21503616 0.79 KDM4E (0.38) KDM4ECXCR4TRPV1LMNANPC1
SCHEMBL13697560 0.78 TRPV1 (0.38) KDM4ECXCR4TRPV1TKTTRPV4
SCHEMBL4760947 0.78 CNR1 (0.34) KDM4ECXCR4TRPV1MBOAT4TKT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770214-B Heterocyclic P2X7 antagonists 布雷耶疗法有限公司 2024-03-29 CN disclosed
US-11623919-B2 Heterocyclic P2X7 antagonists BREYE THERAPEUTICS APS (DK) 2023-04-11 US disclosed
EP-3619200-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2020-03-11 EP disclosed
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
CN-110770214-A Heterocyclic P2X7 antagonists 阿克萨姆股份公司 2020-02-07 CN disclosed
WO-2018202694-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.P.A. (IT) 2018-11-08 WO disclosed
EP-3398941-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2018-11-07 EP disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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 (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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 KDM4E 4268/4885CXCR4 139/4885TRPV1 28/4885
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 KDM4E 3169/4885CXCR4 415/4885TRPV1 7/4885
US-11623919-B2 Heterocyclic P2X7 antagonists P2RY1, P2RX1, P2RX3 KDM4E 4268/4885CXCR4 139/4885TRPV1 28/4885
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 KDM4E 3120/4885CXCR4 619/4885TRPV1 3/4885

“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.