SCHEMBL3532818

SCHEMBL3532818

CCC(C)N1CCC(C[O])CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
OPRM1 P35372 4/20 0.33
KDM4E B2RXH2 2/20 0.33
OPRL1 P41146 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23612752 0.83 HRH3 (0.41) HRH3OPRM1KDM4E
SCHEMBL3532283 0.80 HRH3 (0.42) HRH3
SCHEMBL3532821 0.79 HRH3 (0.39) HRH3OPRM1KDM4E
SCHEMBL18664004 0.78 HRH3 (0.41) HRH3OPRM1KDM4EOPRL1
SCHEMBL8971272 0.77 KDM4E (0.39) HRH3OPRM1KDM4EMEN1KMT2A
SCHEMBL23482197 0.77 HRH3 (0.40) HRH3KDM4E
SCHEMBL23797644 0.76 CYP1A2 (0.47) HRH3
SCHEMBL24040238 0.76 HRH3 (0.40) HRH3OPRM1
SCHEMBL22778615 0.76 NCF1 (0.42) HRH3OPRM1OPRL1
SCHEMBL21414332 0.76 HRH3 (0.41) HRH3OPRM1KDM4EOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747203-A4 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP claimed
US-7507756-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-24 US claimed
EP-1747203-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP claimed
WO-2005110998-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO claimed
US-20050250948-A1 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US claimed
US-7807837-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
US-20090143591-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-04 US disclosed
EP-1747203-A4 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
US-7507756-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-24 US disclosed
EP-1747203-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP disclosed
WO-2005110998-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
US-20050250948-A1 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 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-20090143591-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES ABL1, NOS2, FLT3 HRH3 2308/4885OPRM1 3867/4885KDM4E 838/4885
US-20050250948-A1 Scalable synthesis of imidazole derivatives ABL1, NOS2, FLT3 HRH3 2308/4885OPRM1 3867/4885KDM4E 838/4885

“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.