SCHEMBL17474595

SCHEMBL17474595

O=C(O)C1CNCCC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.55
HTR2A P28223 1/20 0.51
HTR2B P41595 1/20 0.51
TACR1 P25103 3/20 0.49
HTR1A P08908 1/20 0.49
AKT1 P31749 3/20 0.48
RPS6KB1 P23443 1/20 0.46
KDM1A O60341 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL1819579 0.88 HTR2C (0.54) HTR2CHTR2AHTR2BTACR1HTR1A
SCHEMBL1819576 0.88 HTR2C (0.54) HTR2CHTR2AHTR2BTACR1HTR1A
SCHEMBL29350958 0.88 HTR2C (0.54) HTR2CHTR2AHTR2BTACR1HTR1A
SCHEMBL1819580 0.88 HTR2C (0.54) HTR2CHTR2AHTR2BTACR1HTR1A
Bicarbonate SCHEMBL7446322 0.85 HTR2C (0.55) HTR2CHTR2AHTR2BTACR1HTR1A
SCHEMBL7099439 0.84 HTR2C (0.50) HTR2CTACR1AKT1
SCHEMBL17474574 0.83 RPS6KB1 (0.45) AKT1RPS6KB1
SCHEMBL17485184 0.83 MAPT (0.56) HTR2CHTR2AHTR2BTACR1HTR1A
SCHEMBL17486613 0.83 MAPT (0.56) HTR2CHTR2AHTR2BTACR1HTR1A
SCHEMBL15054700 0.82 AKT1 (0.56) HTR2CHTR2AHTR2BHTR1AAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
EP-3174864-A2 VMAT INHIBITORY COMPOUNDS Oregon Health & Science University (US) 2017-06-07 EP disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 US disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 US disclosed
WO-2016019312-A2 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-02-04 WO 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-20170298042-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 HTR2C 83/4885HTR2A 55/4885HTR2B 100/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 HTR2C 83/4885HTR2A 55/4885HTR2B 100/4885

“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.