SCHEMBL12295018

SCHEMBL12295018

[11CH3]N1CCN(c2ccccc2C[C@H]2CCN(c3ccc(N4CCCCC4)nc3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
NCF1 P14598 1/20 0.40
BRD9 Q9H8M2 8/20 0.38
BRPF1 P55201 3/20 0.38
BRD4 O60885 3/20 0.38
BRD7 Q9NPI1 2/20 0.37
TNKS O95271 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL12295012 1.00 ROCK2 (0.41) ROCK2OPRM1OPRL1NCF1BRD9
SCHEMBL12295011 1.00 ROCK2 (0.41) ROCK2OPRM1OPRL1NCF1BRD9
SCHEMBL1738857 0.91 OPRM1 (0.41) ROCK2OPRM1OPRL1BRD9BRPF1
SCHEMBL1738620 0.91 OPRM1 (0.41) ROCK2OPRM1OPRL1BRD9BRPF1
SCHEMBL1737776 0.91 OPRM1 (0.41) ROCK2OPRM1OPRL1BRD9BRPF1
SCHEMBL12295032 0.89 HTR1A (0.44) ROCK2OPRM1OPRL1BRD9HTR1A
SCHEMBL12295031 0.89 HTR1A (0.44) ROCK2OPRM1OPRL1BRD9HTR1A
SCHEMBL12295035 0.89 HTR1A (0.44) ROCK2OPRM1OPRL1BRD9HTR1A
SCHEMBL22411011 0.83 FPR1 (0.42) ROCK2OPRM1OPRL1BRD9BRPF1
SCHEMBL1737725 0.82 ROCK2 (0.40) ROCK2BRD9BRPF1BRD4BRD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012969-B2 Radiopharmaceutical for positron emission tomography; imaging brain tissue; labeled serotonin type 1B (5HT1B) receptor ligands GE HEALTHCARE LIMITED (GB) 2011-09-06 US disclosed
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents GE HEALTHCARE LIMITED (GB) 2008-08-28 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-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents TMEM14C, QPCT, PAICS ROCK2 2938/4885OPRM1 769/4885OPRL1 1058/4885

“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.