SCHEMBL15211633

SCHEMBL15211633

CN[C@H](C)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.39
SCN9A Q15858 1/20 0.38
KRAS P01116 2/20 0.37
TACR1 P25103 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
AKT1 P31749 1/20 0.34
KCNH2 Q12809 2/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
CETP P11597 1/20 0.34
CXCR2 P25025 1/20 0.34
CASR P41180 1/20 0.33
KLRK1 P26718 1/20 0.33
MICA Q29983 1/20 0.33
RAET1L Q5VY80 1/20 0.33
MAPT P10636 1/20 0.33
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL17233115 1.00 SOS1 (0.39) SOS1SCN9AKRASTACR1GPBAR1
SCHEMBL19354872 1.00 SOS1 (0.39) SOS1SCN9AKRASTACR1GPBAR1
SCHEMBL2365906 0.88 MAPT (0.40) SOS1KRASTACR1GPBAR1KCNH2
SCHEMBL1432906 0.88 MAPT (0.40) SOS1KRASTACR1GPBAR1KCNH2
SCHEMBL3154962 0.88 MAPT (0.40) SOS1KRASTACR1GPBAR1KCNH2
Hydrochloric Acid SCHEMBL2487638 0.86 IDO1 (0.40) SOS1KRASTACR1GPBAR1KCNH2
Hydrochloric Acid SCHEMBL2512455 0.86 IDO1 (0.40) SOS1KRASTACR1GPBAR1KCNH2
Hydrochloric Acid SCHEMBL3138452 0.86 IDO1 (0.40) SOS1KRASTACR1GPBAR1KCNH2
SCHEMBL21346339 0.84 SOS1 (0.39) SOS1SCN9AKRASTACR1GPBAR1
SCHEMBL18252813 0.84 SOS1 (0.39) SOS1SCN9AKRASTACR1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2023-08-24 US disclosed
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
WO-2019136368-A2 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-07-11 WO disclosed
WO-2019060820-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. (US) 2019-03-28 WO disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 US disclosed
EP-2817312-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA AS (DK) 2016-02-17 EP disclosed
US-9181259-B2 Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists LEO PHARMA A/S (DK) 2015-11-10 US disclosed
EP-2817312-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS Leo Pharma A/S (DK) 2014-12-31 EP disclosed
WO-2013124286-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA A/S (DK) 2013-08-29 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 (3 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-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 SOS1 4466/4885SCN9A 3266/4885KRAS 3709/4885
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 SOS1 3556/4885SCN9A 4392/4885KRAS 1147/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 SOS1 4339/4885SCN9A 3457/4885KRAS 3562/4885

“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.