SCHEMBL4020099

SCHEMBL4020099

Clc1ccc2c(c1)CC(Br)=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
METAP1 P53582 1/20 0.35
PNMT P11086 1/20 0.33
CMA1 P23946 1/20 0.32
DRD4 P21917 2/20 0.32
DRD2 P14416 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
KDM1A O60341 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
NOTUM Q6P988 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
Hydrochloric Acid SCHEMBL28666905 0.78 AHR (0.38) AHRHTR2AHTR2CHTR2BMETAP1
SCHEMBL5953558 0.75 DRD2 (0.38) AHRHTR2AHTR2CHTR2BMETAP1
SCHEMBL5953678 0.71 MCHR1 (0.33) AHRHTR2AHTR2CHTR2BMETAP1
SCHEMBL5953463 0.71 AHR (0.33) AHRHTR2AHTR2CHTR2BMETAP1
SCHEMBL4017177 0.71 CYP11B1 (0.49) METAP1DRD4DRD2
SCHEMBL23100742 0.70 CA12 (0.41) HTTCA2
SCHEMBL5864919 0.69 HTR2A (0.38) AHRHTR2AHTR2CHTR2BPNMT
SCHEMBL1578071 0.69 MAOA (0.42) HTR2AHTR2BKDM1ACA1CA2
SCHEMBL5953873 0.68 MCHR1 (0.32) AHRHTR2AHTR2CHTR2BMETAP1
SCHEMBL30715534 0.68 HTR2A (0.41) AHRHTR2AHTR2CHTR2BMETAP1

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 8 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
CN-119816491-A New spirocyclohexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2025-04-11 CN disclosed
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US 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
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
WO-2009091324-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS CHATTOPADHYAYA JYOTI (SE) 2009-07-23 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 (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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 AHR 4223/4885HTR2A 2445/4885HTR2C 2452/4885
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX AHR 3979/4885HTR2A 3518/4885HTR2C 3285/4885

“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.