SCHEMBL9976595

SCHEMBL9976595

COCCN1CCC(C(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HRH1 P35367 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CCR8 P51685 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL20756860 0.89 KCNH2 (0.37) ESR1ESR2HRH1CYP2D6KCNH2
SCHEMBL20756924 0.89 KAT2B (0.41) GBA1KDM1AALDH1A1KDM2BKAT2B
SCHEMBL19844789 0.89 KAT2B (0.41) GBA1KDM1AALDH1A1KDM2BKAT2B
SCHEMBL19844788 0.89 KAT2B (0.41) GBA1KDM1AALDH1A1KDM2BKAT2B
SCHEMBL9976591 0.89 KDM1A (0.39) GBA1KDM1AALDH1A1HRH1HSD11B1
SCHEMBL27051226 0.85 KDM1A (0.41) ESR1ESR2KDM1ACYP2D6CYP2C19
SCHEMBL19341335 0.84 GBA1 (0.44) GBA1CYP2D6HSD11B1KCNH2MAP3K12
SCHEMBL27055535 0.84 CYP2D6 (0.48) ESR1ESR2HRH1CYP2D6CYP2C19
SCHEMBL27345970 0.83 GBA1 (0.33) GBA1KDM1AALDH1A1HRH1CYP2D6
SCHEMBL26023067 0.82 KDM1A (0.39) KDM1AALDH1A1HRH1KDM2BKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 — — US disclosed
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 — — US disclosed
US-20230002351-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-01-05 — — US disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 — — US disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 — — US disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 — — WO disclosed
EP-2398797-B1 PYRIMIDO[5,4-D]PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF TYROSINE KINASES BOEHRINGER INGELHEIM INT (DE) 2013-11-06 — — EP disclosed
US-8569316-B2 Pyrimido [5,4-D] pyrimidine derivatives for the inhibition of tyrosine kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 — — US disclosed
US-8569316-B2 Pyrimido [5,4-D] pyrimidine derivatives for the inhibition of tyrosine kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 — — US disclosed
US-8202887-B2 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors JANSSEN R&D IRELAND (IE) 2012-06-19 — — US disclosed
US-20120046270-A1 PYRIMIDO [5,4-D] PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF TYROSINE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 — — US disclosed
US-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-08-20 — — 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-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SPINT2, PEPD, DNPEP GBA1 714/4885ESR1 2112/4885ESR2 3374/4885
US-20230002351-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 GBA1 444/4885ESR1 4389/4885ESR2 2959/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO GBA1 2394/4885ESR1 2101/4885ESR2 2104/4885
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 GBA1 444/4885ESR1 4389/4885ESR2 2959/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR GBA1 4262/4885ESR1 1438/4885ESR2 2980/4885
US-20120046270-A1 PYRIMIDO [5,4-D] PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF TYROSINE KINASES CDK2, ABL1, CDK1 GBA1 2316/4885ESR1 1953/4885ESR2 3220/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR GBA1 4262/4885ESR1 1438/4885ESR2 2980/4885

“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.

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