SCHEMBL4229239

SCHEMBL4229239

CC(C)CN1CCC(O)(c2ccc(C3=NC(C)(C)CO3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
CYP2D6 P10635 3/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
OPRL1 P41146 4/20 0.34
OPRM1 P35372 2/20 0.34
CCR3 P51677 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 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
SCHEMBL4229650 0.84 HRH3 (0.43) HRH3CYP2D6KDM4ELMNAMAPT
SCHEMBL4233587 0.82 OPRL1 (0.59) KDM4EOPRL1CCR3
SCHEMBL4238390 0.76 DRD2 (0.46) HRH3CYP2D6KDM4ELMNAMAPT
SCHEMBL3295263 0.74 HRH3 (0.40) HRH3CYP2D6ALDH1A1CYP3A4KDM4E
SCHEMBL12726887 0.72 OPRL1 (0.61) OPRL1OPRM1CCR3OPRD1OPRK1
SCHEMBL471858 0.71 KDM4E (0.60) HRH3CYP2D6ALDH1A1KDM4ELMNA
SCHEMBL5864621 0.70 OPRL1 (0.58) HRH3OPRL1OPRM1OPRD1OPRK1
SCHEMBL4683545 0.70 HRH3 (0.44) HRH3CYP2D6ALDH1A1KDM4ELMNA
SCHEMBL4745106 0.70 CYP2D6 (0.47) CYP2D6ALDH1A1CYP3A4
SCHEMBL7274935 0.68 HRH3 (0.38) HRH3CYP2D6KDM4ELMNA

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
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 HRH3 210/4885CYP2D6 1331/4885ALDH1A1 4542/4885

“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.