SCHEMBL19443084

SCHEMBL19443084

Cc1cc(CNS)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 3/20 0.41
▸ NOS1 P29475 2/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ TACR1 P25103 5/20 0.38
▸ MTOR P42345 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ MLYCD O95822 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ RHOC P08134 1/20 0.36
▸ RHOA P61586 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ NOS2 P35228 1/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.34

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
SCHEMBL12765145 0.86 NOS1 (0.43) RAPGEF4NOS1NOS3TACR1MTOR
SCHEMBL13461889 0.85 TACR1 (0.50) RAPGEF4NOS1NOS3TACR1MTOR
SCHEMBL16355202 0.81 IDO1 (0.39) RAPGEF4NOS1NOS3TACR1MTOR
SCHEMBL14570493 0.81 IDO1 (0.43) RAPGEF4NOS1NOS3TACR1IDO1
SCHEMBL18252826 0.80 ALDH1A1 (0.41) RAPGEF4NOS1NOS3TACR1MTOR
SCHEMBL16767879 0.79 GRIN2B (0.44) RAPGEF4NOS1NOS3IDO1GRIN2B
SCHEMBL806121 0.78 IDO1 (0.41) RAPGEF4NOS1NOS3TACR1IDO1
SCHEMBL799008 0.78 IDO1 (0.41) RAPGEF4NOS1NOS3IDO1GRIN2B
SCHEMBL21902398 0.78 CARM1 (0.48) RAPGEF4TACR1
SCHEMBL16729555 0.76 ALDH1A1 (0.45) TACR1MTORIDO1IDH1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2019-11-05 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CCR2, CCR1, CCR5 RAPGEF4 1261/4885NOS1 2713/4885NOS3 2153/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 RAPGEF4 1261/4885NOS1 2713/4885NOS3 2153/4885

“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.

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