SCHEMBL9947168

SCHEMBL9947168

COc1cccc(C2CC(N(C)C)CC3C=CC=CC32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
SLC9A1 P19634 1/20 0.42
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
KDM1A O60341 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL9945851 0.83 HTR2C (0.40) HTR2CHTR2AHTR2BMEN1NPC1
SCHEMBL9947171 0.82 HTR2C (0.47) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL9947173 0.82 HTR2C (0.50) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL15943752 0.82 HTR2A (0.44) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL15763556 0.76 HTR2C (0.41) HTR2CHTR2AHTR2BSLC9A1CHRM2
Hydrochloric Acid SCHEMBL8467719 0.76 HTR2C (0.46) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL9947172 0.74 HTR2C (0.44) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL8333649 0.71 HTR2C (0.63) HTR2CHTR2AHTR2BSLC9A1CHRM2
Ammonia Solution, Strong SCHEMBL267089 0.70 HTR2C (0.61) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL8333645 0.67 HTR2C (0.61) HTR2CHTR2AHTR2BSLC9A1CHRM2

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.