SCHEMBL23908261

SCHEMBL23908261

C[C@@H](O)c1cc(C(F)(F)F)ncc1Br

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
TRPV3 Q8NET8 5/20 0.33
TRPV4 Q9HBA0 1/20 0.32
SORD Q00796 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
CRHR2 Q13324 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22438785 1.00 PDE2A (0.37) PDE2ATRPV3TRPV4SORDADORA2A
SCHEMBL20972087 1.00 PDE2A (0.37) PDE2ATRPV3TRPV4SORDADORA2A
SCHEMBL20855517 0.77 PDE10A (0.39) PDE2ATRPV3CYP3A4CYP2C19
SCHEMBL16703147 0.77
SCHEMBL25117721 0.76 CA2 (0.35) TRPV4CA2CHKA
Hydrochloric Acid SCHEMBL20972215 0.75 CA2 (0.34) TRPV4CA2CHKA
Hydrochloric Acid SCHEMBL29127188 0.75 TRPV4 (0.32) TRPV4CA2CHKA
Hydrochloric Acid SCHEMBL29127231 0.75 TRPV4 (0.32) TRPV4CA2CHKA
Hydrochloric Acid SCHEMBL20972218 0.75 CA2 (0.34) TRPV4CA2CHKA
Hydrochloric Acid SCHEMBL20972312 0.75 CA2 (0.34) TRPV4CA2CHKA

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
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2022-11-15 US disclosed
US-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-14 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-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU PDE2A 783/4885TRPV3 2330/4885TRPV4 3517/4885
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT PDE2A 1080/4885TRPV3 2173/4885TRPV4 3560/4885

“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.