SCHEMBL503843

SCHEMBL503843

C1CNCC2(C1)CCNCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
CYP2D6 P10635 8/20 0.39
CYP3A4 P08684 8/20 0.39
CYP1A2 P05177 6/20 0.39
USP2 O75604 5/20 0.39
HSD17B10 Q99714 5/20 0.38
TSHR P16473 4/20 0.38
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 3/20 0.35
CYP2C19 P33261 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 2/20 0.35
CXCR4 P61073 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KA5 O75582 1/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL5431752 1.00 ALDH1A1 (0.39) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL5438795 1.00 ALDH1A1 (0.39) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL1961429 0.97 ALDH1A1 (0.38) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
Hydrochloric Acid SCHEMBL19717587 0.97 TSHR (0.39) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL5431132 0.95 ALDH1A1 (0.38) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL5438837 0.92 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL450925 0.92 CYP2D6 (0.40) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL26017608 0.92 CYP2D6 (0.40) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL31049944 0.92 CYP2D6 (0.40) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL5431980 0.89 CYP2D6 (0.35) ALDH1A1CYP2D6CYP3A4CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263412-A1 NON-HYDROXAMATE HDAC6 INHIBITORS AND RELATED METHODS OF USE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-08-21 US claimed
EP-4308097-A1 NON-HYDROXAMATE HDAC6 INHIBITORS AND RELATED METHODS OF USE The Regents Of The University Of Michigan (US) 2024-01-24 EP claimed
WO-2022197690-A1 NON-HYDROXAMATE HDAC6 INHIBITORS AND RELATED METHODS OF USE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-09-22 WO claimed
EP-3377500-A1 OXADIAZASPIRO COMPOUNDS FOR THE TREATMENT OF DRUG ABUSE AND ADDICTION ESTEVE PHARMACEUTICALS, S.A. (ES) 2018-09-26 EP claimed
EP-2528910-B1 5-Alkynyl pyrimidines ahd their use as kinase inhibitors. BOEHRINGER INGELHEIM INT (DE) 2015-03-18 EP claimed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US claimed
US-8618111-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-31 US claimed
EP-2528910-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP claimed
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US claimed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO claimed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO claimed
EP-0061333-B1 9-(2-(3-INDOLYL)ETHYL)-1-OXA-4,9-DIAZASPIRO(5.5)UNDECAN-3-ONES SYNTEX (U.S.A.) INC. (US) 1986-01-02 EP claimed
EP-4662217-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF BACTERIAL DISEASES BioVersys AG (CH) 2025-12-17 EP disclosed
US-20250263412-A1 NON-HYDROXAMATE HDAC6 INHIBITORS AND RELATED METHODS OF USE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-08-21 US disclosed
WO-2024165591-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF BACTERIAL DISEASES BioVersys AG (CH) 2024-08-15 WO disclosed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US disclosed
EP-0854869-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1998-07-29 EP disclosed
WO-1997011940-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-03 WO disclosed
EP-0061333-B1 9-(2-(3-INDOLYL)ETHYL)-1-OXA-4,9-DIAZASPIRO(5.5)UNDECAN-3-ONES SYNTEX (U.S.A.) INC. (US) 1986-01-02 EP 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-20120028958-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 ALDH1A1 79/4885CYP2D6 298/4885CYP3A4 1080/4885
US-20250263412-A1 NON-HYDROXAMATE HDAC6 INHIBITORS AND RELATED METHODS OF USE HDAC6, HHAT, HDAC1 ALDH1A1 1530/4885CYP2D6 3822/4885CYP3A4 3639/4885

“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.