SCHEMBL14875486

SCHEMBL14875486

CCC(CC)C(=O)OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
NAAA Q02083 2/20 0.46
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
ADRA1A P35348 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP19A1 P11511 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5827222 0.98 EPHX1 (0.52) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL19115356 0.89 CHRM1 (0.54) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL17675598 0.87 NAAA (0.47) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL22086821 0.87 EPHX1 (0.42) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL7224472 0.87 CHRM1 (0.53) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL20170459 0.87 CHRM1 (0.53) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL20170447 0.87 CHRM1 (0.53) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL22085960 0.86 EPHX1 (0.41) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL17675498 0.86 NAAA (0.49) EPHX1NAAACHRM2CHRM1CHRM3
SCHEMBL15084184 0.86 EPHX1 (0.45) EPHX1NAAACHRM2CHRM1CHRM3

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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-8956807-B2 Method for forming resist pattern, and composition for forming resist underlayer film JSR CORPORATION (JP) 2015-02-17 US disclosed
US-20130101942-A1 METHOD FOR FORMING RESIST PATTERN, AND COMPOSITION FOR FORMING RESIST UNDERLAYER FILM JSR CORPORATION (JP) 2013-04-25 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 (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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A EPHX1 484/4885NAAA 1965/4885CHRM2 2639/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A EPHX1 484/4885NAAA 1965/4885CHRM2 2639/4885

“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.