SCHEMBL736130

SCHEMBL736130

CC(C)(C)Oc1cccc2c1C(=O)OC21CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.37
NPY5R Q15761 1/20 0.33
AVPR1A P37288 2/20 0.33
DHODH Q02127 2/20 0.33
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
PRKCA P17252 2/20 0.31

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
SCHEMBL14530331 0.85 SIGMAR1 (0.49) SIGMAR1NPY5RDRD2HTR2C
SCHEMBL1276265 0.77 HTR2C (0.41) SIGMAR1NPY5RDHODHDRD2HTR2C
SCHEMBL16835957 0.77 AVPR1A (0.49) SIGMAR1NPY5RAVPR1ADHODHDRD2
SCHEMBL4369276 0.75 AVPR1A (0.49) SIGMAR1NPY5RAVPR1ADHODHDRD2
Hydrochloric Acid SCHEMBL1998577 0.73 AVPR1A (0.48) SIGMAR1NPY5RAVPR1ADHODHDRD2
SCHEMBL20977962 0.72 SIGMAR1 (0.35) SIGMAR1NPY5RAVPR1ADHODHDRD2
SCHEMBL171980 0.67 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1A
SCHEMBL29674557 0.67 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1A
SCHEMBL737225 0.67 HRH3 (0.46) SIGMAR1NPY5RDRD2HTR2C
Hydrochloric Acid SCHEMBL2002554 0.66 SIGMAR1 (0.52) SIGMAR1NPY5RAVPR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 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 (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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SIGMAR1 11/4885NPY5R 385/4885AVPR1A 200/4885

“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.