SCHEMBL21857550

SCHEMBL21857550

COc1ccccc1-c1nccc(N)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 12/20 0.63
▸ CYP3A4 P08684 11/20 0.63
▸ CYP2D6 P10635 10/20 0.63
▸ ALDH1A1 P00352 8/20 0.63
▸ CYP2C19 P33261 10/20 0.56
▸ TSHR P16473 6/20 0.56
▸ USP2 O75604 5/20 0.56
▸ HSD17B10 Q99714 5/20 0.55
▸ ALOX15 P16050 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ TP53 P04637 3/20 0.46

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
SCHEMBL31505978 1.00 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL27346672 0.83 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL26985646 0.81 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL31506117 0.81 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL10345022 0.81 HSD17B10 (0.54) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL31530990 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL13674055 0.80 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL13674052 0.80 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL16790012 0.80 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL30968318 0.80 NOS3 (0.49) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 — — US disclosed
EP-4551566-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2025-05-14 — — EP disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 — — WO disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 — — WO disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 — — 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 (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-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX CYP1A2 2158/4885CYP3A4 1904/4885CYP2D6 801/4885

“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