SCHEMBL4237702

SCHEMBL4237702

CCCCN1CC=C(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.54
DRD2 P14416 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR1A P08908 2/20 0.47

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
SCHEMBL4233609 0.92 SIGMAR1 (0.60) SIGMAR1DRD2HTR1A
SCHEMBL4233673 0.86 SIGMAR1 (0.52) SIGMAR1DRD2KDM4EALOX15APEX1
SCHEMBL14601668 0.83 SIGMAR1 (0.60) SIGMAR1HTR1A
SCHEMBL4233519 0.83 SIGMAR1 (0.53) SIGMAR1DRD2KDM4EALOX15APEX1
SCHEMBL8575395 0.80 SIGMAR1 (0.62) SIGMAR1DRD2KMT2ATDP1
SCHEMBL11938943 0.80 SIGMAR1 (0.65) SIGMAR1DRD2HTR1A
SCHEMBL4233494 0.80 RARB (0.48) KMT2A
SCHEMBL4228610 0.80 NAMPT (0.57) SIGMAR1DRD2KDM4EALOX15HTR1A
SCHEMBL256663 0.79 SIGMAR1 (0.63) SIGMAR1HTR1A
SCHEMBL4236266 0.78 QDPR (0.65) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R SIGMAR1 303/4885DRD2 337/4885KDM4E 1604/4885

“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.