SCHEMBL9947172

SCHEMBL9947172

COc1cccc(C2CC(=O)CC3C=CC=CC32)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
SLC9A1 P19634 1/20 0.43
LMNA P02545 2/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP19A1 P11511 2/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9945852 0.82 HTR2C (0.39) HTR2CHTR2AHTR2BCYP19A1MAPT
SCHEMBL15943750 0.80 KDM1A (0.47) HTR2CHTR2AHTR2BMAPT
SCHEMBL9947173 0.79 HTR2C (0.50) HTR2CHTR2AHTR2BSLC9A1LMNA
SCHEMBL9945859 0.78 MAPT (0.39) HTR2CLMNACYP19A1MAOBMAPT
SCHEMBL9947171 0.76 HTR2C (0.47) HTR2CHTR2AHTR2BSLC9A1LMNA
SCHEMBL9947168 0.74 HTR2C (0.45) HTR2CHTR2AHTR2BSLC9A1LMNA
SCHEMBL23705886 0.74 HTR2C (0.58) HTR2CHTR2AHTR2BLMNADDB1
Hydrochloric Acid SCHEMBL8467719 0.73 HTR2C (0.46) HTR2CHTR2AHTR2BSLC9A1LMNA
SCHEMBL11537775 0.71 NPC1 (0.45) HTR2CHTR2AHTR2BSLC9A1LMNA
SCHEMBL15763556 0.71 HTR2C (0.41) HTR2CHTR2AHTR2BSLC9A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422229-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-23 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
EP-2164324-B1 THERAPEUTIC COMPOUNDS UNIV FLORIDA (US) 2014-08-13 EP disclosed
US-20140155490-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20100305212-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-12-02 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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR2C 1/4885HTR2A 7/4885HTR2B 21/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR2C 1/4885HTR2A 7/4885HTR2B 21/4885
US-20140155490-A1 THERAPEUTIC COMPOUNDS HTR2C, HTR3B, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 10/4885
US-20100305212-A1 THERAPEUTIC COMPOUNDS HTR2C, HTR3B, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 10/4885

“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.