SCHEMBL13677448

SCHEMBL13677448

CC(=O)O[C@@H]1C=C(C#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.30

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
SCHEMBL18550982 0.78 CYP19A1 (0.34) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL18550781 0.78 DRD2 (0.36) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL21916428 0.78 CYP19A1 (0.34) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL21833716 0.78 DRD2 (0.36) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL21833718 0.78 DRD2 (0.36) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL2585385 0.76 CYP19A1 (0.40) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL13677475 0.76 CYP19A1 (0.40) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL4266335 0.76 CYP19A1 (0.40) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL29163583 0.73 DRD3 (0.41) LMNACYP3A4CYP2C9CYP2C19DRD3
SCHEMBL23273202 0.71 OAT (0.42) CYP19A1LMNACYP3A4CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MSD K.K. (JP) 2009-10-01 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 (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-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, NPSR1 CYP19A1 798/4885LMNA 2467/4885CYP3A4 2290/4885

“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.