SCHEMBL2885311

SCHEMBL2885311

CNCC1CCCCN1C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
ADRA2A P08913 1/20 0.40
ALDH1A1 P00352 1/20 0.38
KAT2B Q92831 1/20 0.37

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
SCHEMBL17888194 1.00 CYP1A2 (0.52) CYP1A2ADRA2AALDH1A1KAT2B
SCHEMBL25689653 0.98 CYP1A2 (0.55) CYP1A2ADRA2AALDH1A1KAT2B
SCHEMBL13297838 0.93
SCHEMBL959204 0.93
SCHEMBL959205 0.93
Hydrochloric Acid SCHEMBL30748670 0.91 CYP1A2 (0.42) CYP1A2ALDH1A1KAT2B
SCHEMBL24921236 0.84
SCHEMBL13297837 0.84
SCHEMBL19223439 0.84
SCHEMBL13997585 0.83 CYP1A2 (0.44) CYP1A2ADRA2AALDH1A1KAT2B

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576537-B1 2-AMINO-PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2016-03-16 EP claimed
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
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-12187702-B2 Sulfonamideurea compounds INFLAZOME LIMITED (IE) 2025-01-07 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
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20220194923-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2022-06-23 US disclosed
US-20220194923-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2022-06-23 US disclosed
US-20080226592-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
WO-2008106225-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton BANYU PHARMACEUTICAL CO., LTD (JP) 2008-04-03 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
EP-1754706-A1 SELECTIVE INHIBITORS AGAINST Cdk4 AND Cdk6 HAVING AMINOTHIAZOLE SKELETON BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-21 EP disclosed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 WO disclosed
US-5571832-A Nitrogen-containing cyclohetero alkylamino aryl derivatives for CNS disorders THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-11-05 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 (7 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-20220194923-A1 NOVEL SULFONAMIDEUREA COMPOUNDS NLRP3, NOD1, NLRP1 CYP1A2 530/4885ADRA2A 2670/4885ALDH1A1 646/4885
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton CDK4, CDK6, CDK3 CYP1A2 1792/4885ADRA2A 4362/4885ALDH1A1 3347/4885
US-12187702-B2 Sulfonamideurea compounds NLRP3, NOD1, NLRP1 CYP1A2 329/4885ADRA2A 2996/4885ALDH1A1 663/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 CYP1A2 3530/4885ADRA2A 4699/4885ALDH1A1 4344/4885
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX CYP1A2 2158/4885ADRA2A 1179/4885ALDH1A1 1848/4885
US-20080226592-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, OAT CYP1A2 131/4885ADRA2A 2942/4885ALDH1A1 146/4885
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT CYP1A2 38/4885ADRA2A 173/4885ALDH1A1 119/4885

“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.