SCHEMBL296401

SCHEMBL296401

NC1CCN(Cc2ccccc2)C(C2CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.44
HTR1A P08908 2/20 0.43
GBA1 P04062 1/20 0.42
NPY1R P25929 1/20 0.40
HTT P42858 1/20 0.40
NPY2R P49146 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL11088146 0.90 SLC18A3 (0.45) SIGMAR1NPY1RHTTNPY2R
SCHEMBL11084008 0.90 SLC18A3 (0.45) SIGMAR1NPY1RHTTNPY2R
SCHEMBL11084006 0.90 SLC18A3 (0.45) SIGMAR1NPY1RHTTNPY2R
SCHEMBL12716991 0.82 SLC18A3 (0.48) SIGMAR1NPY1RHTTNPY2R
SCHEMBL8301747 0.82 HTR1A (0.51) SIGMAR1HTR1AGBA1NPY1RHTT
SCHEMBL3176956 0.82 HTR1A (0.51) SIGMAR1HTR1AGBA1NPY1RHTT
SCHEMBL2294097 0.79 MAPT (0.53) SIGMAR1GBA1ACHE
SCHEMBL1318062 0.78 LTA4H (0.52) SIGMAR1NPY1RHTTNPY2R
SCHEMBL8925928 0.78 TACR1 (0.50)
SCHEMBL28233337 0.78 CFB (0.54) SIGMAR1GBA1ACHE

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
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-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 SIGMAR1 209/4885HTR1A 33/4885GBA1 1955/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 SIGMAR1 209/4885HTR1A 33/4885GBA1 1955/4885

“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.