SCHEMBL734845

SCHEMBL734845

CN(C)C(=O)C(CCN1CCC2(CC2)C(O)C1)N1CCN(c2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.41
HTR1A P08908 2/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CCR2 P41597 1/20 0.38
CCR5 P51681 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL736288 1.00 HTR7 (0.41) HTR7HTR1APOLBMEN1CYP1A2
SCHEMBL734844 1.00 HTR7 (0.41) HTR7HTR1APOLBMEN1CYP1A2
SCHEMBL736289 1.00 HTR7 (0.41) HTR7HTR1APOLBMEN1CYP1A2
SCHEMBL736110 0.91 HTR1A (0.43) HTR7HTR1APOLBTRPV1
SCHEMBL736109 0.91 HTR1A (0.43) HTR7HTR1APOLBTRPV1
SCHEMBL733505 0.89 HSD17B10 (0.44) HTR7HTR1APOLBHTR2AHTR2C
SCHEMBL733497 0.89 HSD17B10 (0.44) HTR7HTR1APOLBHTR2AHTR2C
SCHEMBL733496 0.89 HSD17B10 (0.44) HTR7HTR1APOLBHTR2AHTR2C
SCHEMBL733498 0.89 HSD17B10 (0.44) HTR7HTR1APOLBHTR2AHTR2C
SCHEMBL13495214 0.89 HTR7 (0.44) HTR7HTR1APOLBHTR2AHTR2C

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-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 US claimed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 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 (1 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 HTR7 408/4885HTR1A 512/4885POLB 4167/4885

“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.