SCHEMBL295904

SCHEMBL295904

CS(=O)(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ACHE P22303 1/20 0.55
HTR2A P28223 2/20 0.55
OPRM1 P35372 3/20 0.53
SIGMAR1 Q99720 2/20 0.53
DRD2 P14416 2/20 0.52
CHRM4 P08173 1/20 0.52
CHRM2 P08172 6/20 0.51
CHRM3 P20309 6/20 0.51
CCR3 P51677 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL14997384 0.84 HTR2A (0.61) RECQLSMN1; SMN2ACHEHTR2AOPRM1
SCHEMBL9785741 0.83 OPRM1 (0.57) RECQLSMN1; SMN2ACHEHTR2AOPRM1
Hydrochloric Acid SCHEMBL9785675 0.82 OPRM1 (0.56) RECQLSMN1; SMN2ACHEHTR2AOPRM1
SCHEMBL28173289 0.80 ACHE (0.64) SMN1; SMN2ACHEHTR2AOPRM1SIGMAR1
SCHEMBL13541677 0.79 CACNA1B (0.53) ACHEHTR2AOPRM1DRD2HTR2C
SCHEMBL2108897 0.78 ACHE (0.66) ACHEHTR2AOPRM1SIGMAR1DRD2
SCHEMBL4285276 0.77 CHRM4 (0.56) HTR2ACHRM4HTR2C
SCHEMBL4282387 0.77 ALDH1A1 (0.51) HTR2AOPRM1SIGMAR1DRD2CHRM2
Hydrochloric Acid SCHEMBL2976109 0.76 ACHE (0.64) ACHEHTR2AOPRM1SIGMAR1DRD2
SCHEMBL4286138 0.76 MEN1 (0.50) HTR2ASIGMAR1DRD2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 EP disclosed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 WO disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 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-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 RECQL 1781/4885SMN1; SMN2 1251/4885ACHE 422/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 RECQL 1781/4885SMN1; SMN2 1251/4885ACHE 422/4885

“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.