SCHEMBL19250992

SCHEMBL19250992

CC[C@@H](C)c1ccnn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
COMT P21964 1/20 0.34
TSHR P16473 1/20 0.33
PGR P06401 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
GPR52 Q9Y2T5 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
SCHEMBL15960686 1.00 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL25465246 1.00 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL25771142 0.86 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL22013190 0.83 KDM4E (0.34) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL25464825 0.83 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL25464815 0.82 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL25465363 0.82 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL23006795 0.82 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL20374380 0.80 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL23219802 0.80 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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
WO-2023086638-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2023-05-19 WO disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 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-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC CYP1A2 1065/4885CYP3A4 1500/4885CYP2D6 1471/4885

“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.