SCHEMBL81725

SCHEMBL81725

CCN1CCCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHKA P35790 6/20 0.48
SIGMAR1 Q99720 3/20 0.46
CA2 P00918 1/20 0.46
NCF1 P14598 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL22695032 0.95 CHKA (0.44) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL13915406 0.95 CHKA (0.42) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL27754853 0.92 CYP2D6 (0.43) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL20061255 0.91 CHKA (0.43) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL18121361 0.91 CHKA (0.43) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL13067395 0.89 CYP2D6 (0.46) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL81189 0.89
SCHEMBL6662807 0.89 CHRNA7 (0.41) SIGMAR1KDM4EALDH1A1
SCHEMBL17616057 0.89 CHRNA7 (0.41) SIGMAR1KDM4EALDH1A1
SCHEMBL14524205 0.89 CHRNA7 (0.41) SIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10203987-A None JP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
EP-4389223-A1 SYNTHESIS, PHARMACOLOGY AND USE OF NEW WATER-SOLUBLE AND SELECTIVE FMS-LIKE TYROSINE KINASE 3 (FLT3) INHIBITORS Universität Regensburg (DE) 2024-06-26 EP disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 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-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-7211666-B2 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 WO disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO disclosed
JP-H10203987-A AGENT CONTAINING (R)-1-ETHYL-4-METHYLHEXAHYDRO-1H-1,4-DIAZEPINE DERIVATIVE AS ACTIVE COMPONENT AND EFFECTIVE FOR SUPPRESSING VOMITION INDUCED BY MORPHINE-LIKE AGENT DAINIPPON PHARMACEUT CO LTD 1998-08-04 JP 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 (4 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CHKA 1267/4885SIGMAR1 831/4885CA2 407/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 CHKA 779/4885SIGMAR1 4230/4885CA2 4527/4885
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR CHKA 790/4885SIGMAR1 66/4885CA2 1565/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK CHKA 392/4885SIGMAR1 4564/4885CA2 1789/4885

“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.