SCHEMBL296400

SCHEMBL296400

NC1CCN(C2(Cc3ccccc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.43
MAOB P27338 7/20 0.43
LTA4H P09960 1/20 0.37
KDM1A O60341 5/20 0.37
OPRL1 P41146 2/20 0.37
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL4130743 0.87 MAOA (0.41) MAOAMAOBKDM1AOPRL1ALDH1A1
SCHEMBL2989331 0.86 SIGMAR1 (0.41) MAOAMAOBOPRL1OPRM1OPRD1
SCHEMBL4125387 0.86 SIGMAR1 (0.41) MAOAMAOBOPRL1OPRM1OPRD1
SCHEMBL4118768 0.83 TSHR (0.38) MAOAMAOBLTA4HOPRL1
Bromide SCHEMBL10842432 0.75 MAOA (0.44) MAOAMAOBOPRL1OPRM1OPRD1
SCHEMBL4282683 0.72 MAOA (0.36) MAOAMAOBALDH1A1
SCHEMBL3412905 0.72 GAA (0.46) MAOAMAOBOPRM1OPRD1OPRK1
SCHEMBL28233336 0.72 MAOA (0.33) MAOAMAOBLTA4HKDM1AALDH1A1
SCHEMBL4112299 0.72 TSHR (0.39) MAOAMAOBOPRL1
SCHEMBL4873013 0.72 SMN1; SMN2 (0.47) LTA4HALDH1A1

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 6 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
CN-101801927-A Piperidine derivatives as nk3 receptor antagonists HOFFMANN LA ROCHE 2010-08-11 CN 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

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 MAOA 1349/4885MAOB 1037/4885LTA4H 3216/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 MAOA 1349/4885MAOB 1037/4885LTA4H 3216/4885

“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.