SCHEMBL1882840

SCHEMBL1882840

O=C(CCN1CCCc2cc(OCCCCCc3ccccc3)ccc2C1)OC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
OPRM1 P35372 4/20 0.47
OPRD1 P41143 4/20 0.47
OPRK1 P41145 3/20 0.47
S1PR1 P21453 2/20 0.47
MOGAT2 Q3SYC2 6/20 0.47
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 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
SCHEMBL1879114 0.91 OPRM1 (0.43) HRH3OPRM1OPRD1OPRK1S1PR1
Trifluoroacetic Acid SCHEMBL1882838 0.89 S1PR1 (0.56) HRH3OPRM1OPRD1OPRK1S1PR1
Hydrochloric Acid SCHEMBL948174 0.80 S1PR1 (0.56) HRH3OPRM1OPRD1OPRK1S1PR1
Trifluoroacetic Acid SCHEMBL1879112 0.79 FFAR1 (0.53) OPRM1OPRD1S1PR1MOGAT2
Hydrochloric Acid SCHEMBL949123 0.76 S1PR1 (0.60) HRH3OPRM1OPRD1OPRK1S1PR1
SCHEMBL326595 0.76 S1PR5 (0.73) S1PR1
SCHEMBL1438628 0.75 S1PR1 (0.49) HRH3S1PR1KDM4EMEN1ALDH1A1
SCHEMBL950082 0.74 S1PR1 (0.74) S1PR1
SCHEMBL946597 0.73 S1PR1 (0.73) HRH3S1PR1KDM4EMEN1KMT2A
SCHEMBL1876791 0.73 S1PR1 (0.61) S1PR1KDM4EALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP claimed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP claimed
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-8575134-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-11-05 US disclosed
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP disclosed
US-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 EP 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 (3 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-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 HRH3 938/4885OPRM1 2856/4885OPRD1 3225/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 HRH3 938/4885OPRM1 2856/4885OPRD1 3225/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 HRH3 938/4885OPRM1 2856/4885OPRD1 3225/4885

“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.