SCHEMBL24433933

SCHEMBL24433933

CC(S)NCc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.38
▸ CCR2 P41597 3/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ MTOR P42345 1/20 0.35

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
SCHEMBL14438263 0.87 CYP3A4 (0.43) CYP3A4ALDH1A1HTTCCR2TACR1
SCHEMBL21900404 0.79 RXRA (0.39) ALDH1A1CCR2TACR1HTR2AHTR2B
SCHEMBL681409 0.78 CYP3A4 (0.43) CYP3A4ALDH1A1HTTTACR1LMNA
Hydrochloric Acid SCHEMBL5394077 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HTTTACR1LMNA
SCHEMBL21346465 0.76 FFAR1 (0.45) ALDH1A1CCR2TACR1LMNA
SCHEMBL14569541 0.75 IDO1 (0.47) ALDH1A1CCR2TACR1HTR2AHTR2B
SCHEMBL15432482 0.75 CYP3A4 (0.41) CYP3A4ALDH1A1HTTLMNAIDO1
SCHEMBL23901560 0.75 CYP3A4 (0.41) CYP3A4ALDH1A1HTTTACR1LMNA
SCHEMBL28095788 0.75 CYP3A4 (0.41) CYP3A4ALDH1A1HTTTACR1HTR2A
SCHEMBL5364865 0.74 IDO1 (0.41) CYP3A4ALDH1A1HTTTACR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 — — 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 (1 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-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 CYP3A4 667/4885ALDH1A1 520/4885HTT 2789/4885

“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.

Send feedback