SCHEMBL4073713

SCHEMBL4073713

c1cn2c(n1)CCNCC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2C P28335 2/20 0.37
ADRA1A P35348 2/20 0.37
HTR2A P28223 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2B P41595 1/20 0.36
PLD1 Q13393 2/20 0.35
ADRB2 P07550 1/20 0.34
NCF1 P14598 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
SCHEMBL19741741 0.89 HRH1 (0.37) HRH1KDM4EALDH1A1HTR2CADRA1A
SCHEMBL667621 0.83
SCHEMBL109208 0.82
Hydrochloric Acid SCHEMBL3353160 0.80 KDM4E (0.38) HRH1KDM4EALDH1A1HTR2CADRA1A
Hydrochloric Acid SCHEMBL20601766 0.80 KDM4E (0.38) HRH1KDM4EALDH1A1HTR2CADRA1A
SCHEMBL712267 0.74
SCHEMBL238844 0.72
SCHEMBL4067122 0.72 ADRA1A (0.37) HRH1ADRA1A
SCHEMBL23335459 0.71 PDPK1 (0.45) KDM4EALDH1A1ADRA1A
Hydrochloric Acid SCHEMBL5598004 0.71 PDPK1 (0.45) KDM4EALDH1A1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-01-26 US disclosed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 US disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 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 (3 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A HRH1 258/4885KDM4E 17/4885ALDH1A1 1473/4885
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, CDK1, CDK2 HRH1 637/4885KDM4E 1308/4885ALDH1A1 2619/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 HRH1 2085/4885KDM4E 4564/4885ALDH1A1 297/4885

“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.