SCHEMBL12295035

SCHEMBL12295035

O=C1C(Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.44
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A3 Q01959 3/20 0.44
ROCK2 O75116 6/20 0.43
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
HTR6 P50406 3/20 0.39
HTR2A P28223 1/20 0.37
MLNR O43193 1/20 0.37
CYP2D6 P10635 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
BRD9 Q9H8M2 1/20 0.36

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
SCHEMBL12295032 1.00 HTR1A (0.44) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL12295031 1.00 HTR1A (0.44) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL12446919 0.91 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL12446928 0.91 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL12446313 0.91 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL12295018 0.89 ROCK2 (0.41) HTR1ASLC6A4ROCK2OPRM1OPRL1
SCHEMBL12295011 0.89 ROCK2 (0.41) HTR1ASLC6A4ROCK2OPRM1OPRL1
SCHEMBL12295012 0.89 ROCK2 (0.41) HTR1ASLC6A4ROCK2OPRM1OPRL1
SCHEMBL12295034 0.82 HTR1A (0.42) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL12295026 0.82 HTR1A (0.42) HTR1ASLC6A2SLC6A4SLC6A3ROCK2

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 HTR1A 2353/4885SLC6A2 2057/4885SLC6A4 2437/4885

“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.