SCHEMBL9976591

SCHEMBL9976591

COCCN1CCC(C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
HRH1 P35367 1/20 0.37
HSD11B1 P28845 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR8 P51685 1/20 0.35
HTR4 Q13639 2/20 0.35
GBA1 P04062 2/20 0.35
MAP3K12 Q12852 1/20 0.35
NPC1 O15118 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34

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
SCHEMBL26023067 0.93 KDM1A (0.39) KDM1AHRH1HSD11B1HTR2CHTR2A
SCHEMBL9976595 0.89 GBA1 (0.37) KDM1AHRH1HSD11B1ALDH1A1CCR8
SCHEMBL2603221 0.89 HTR4 (0.37) HTR4TLR9TLR8TLR7
SCHEMBL22791024 0.87 GNAI3 (0.40) ALDH1A1
SCHEMBL12423900 0.85 KDM1A (0.40) KDM1AHRH1HSD11B1HTR2CHTR2A
SCHEMBL18872119 0.85 KDM1A (0.38) KDM1AHRH1HSD11B1ALDH1A1CCR8
SCHEMBL25467851 0.84 KDM1A (0.46) KDM1AHTR2CHTR2ANPC1
SCHEMBL25075207 0.83 GNAI3 (0.38) HTR2CHTR2A
SCHEMBL24844020 0.82 KDM1A (0.36) KDM1AHRH1HSD11B1ALDH1A1CCR8
SCHEMBL29330279 0.81 POLB (0.39) HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 WO disclosed
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-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases ARRAY BIOPHARMA INC (US) 2022-02-15 US disclosed
US-11198705-B2 Hybrid Amphotericin B derivatives with reduced toxicity THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-12-14 US disclosed
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-8546443-B2 Benzylic oxindole pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546443-B2 Benzylic oxindole pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
US-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
US-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 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-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-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-08-20 US disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 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 (12 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 KDM1A 1094/4885HRH1 2169/4885HSD11B1 3923/4885
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 KDM1A 183/4885HRH1 710/4885HSD11B1 2660/4885
US-20230002351-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 KDM1A 17/4885HRH1 1965/4885HSD11B1 2876/4885
US-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES CCNT1, CCNI, MKI67 KDM1A 1025/4885HRH1 176/4885HSD11B1 2086/4885
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 KDM1A 17/4885HRH1 1965/4885HSD11B1 2876/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 KDM1A 3302/4885HRH1 1137/4885HSD11B1 2063/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 KDM1A 1654/4885HRH1 384/4885HSD11B1 4567/4885
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases MAP3K1, MAP3K3, MAP3K2 KDM1A 765/4885HRH1 1218/4885HSD11B1 3440/4885
US-11198705-B2 Hybrid Amphotericin B derivatives with reduced toxicity ERG28, BAK1, MCL1 KDM1A 4855/4885HRH1 2361/4885HSD11B1 2186/4885
US-20120046270-A1 PYRIMIDO [5,4-D] PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF TYROSINE KINASES CDK2, ABL1, CDK1 KDM1A 1189/4885HRH1 877/4885HSD11B1 3923/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR KDM1A 3708/4885HRH1 959/4885HSD11B1 2776/4885
US-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES MKI67, CCNI, CCNB1 KDM1A 1873/4885HRH1 158/4885HSD11B1 1043/4885

“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.