SCHEMBL21480339

SCHEMBL21480339

OC[C@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.55
MAOB P27338 3/20 0.55
HTR2C P28335 10/20 0.50
HTR2B P41595 6/20 0.50
HTR2A P28223 4/20 0.50
FFAR1 O14842 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL20208695 1.00 KDM1A (0.55) KDM1AMAOBHTR2CHTR2BHTR2A
SCHEMBL7492289 0.88 HTR2C (0.63) KDM1AMAOBHTR2CHTR2BHTR2A
SCHEMBL16761697 0.88 HTR2C (0.63) KDM1AMAOBHTR2CHTR2BHTR2A
SCHEMBL1834561 0.88 HTR2C (0.63) KDM1AMAOBHTR2CHTR2BHTR2A
SCHEMBL9043644 0.88 HTR2C (0.63) KDM1AMAOBHTR2CHTR2BHTR2A
SCHEMBL13832388 0.82 P2RY14 (0.47) KDM1A
SCHEMBL21480337 0.81 KDM1A (0.55) KDM1AMAOBHTR2CHTR2BHTR2A
SCHEMBL20208616 0.81 KDM1A (0.55) KDM1AMAOBHTR2CHTR2BHTR2A
SCHEMBL19262111 0.76 HTR2C (0.63) HTR2CHTR2BHTR2A
SCHEMBL17080568 0.76 HTR2C (0.41) MAOBHTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-11-10 US disclosed
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-10-17 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 (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-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof AADAC, AAAS, NISCH KDM1A 3480/4885MAOB 370/4885HTR2C 1098/4885
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF AADAC, AAAS, NISCH KDM1A 3480/4885MAOB 370/4885HTR2C 1098/4885

“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.