SCHEMBL2335962

SCHEMBL2335962

COC(C)(C)c1ccc(N2CCC(Cc3ccccc3N3CCNCC3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.45
SLC6A2 P23975 5/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 3/20 0.45
ROCK2 O75116 7/20 0.43
HTR6 P50406 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
DRD2 P14416 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2337750 1.00 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL2339097 1.00 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL5606643 0.89 ROCK2 (0.42) HTR1AROCK2DRD2DRD3LMNA
SCHEMBL12295006 0.89 ROCK2 (0.42) HTR1AROCK2DRD2DRD3LMNA
SCHEMBL1737783 0.89 ROCK2 (0.42) HTR1AROCK2DRD2DRD3LMNA
SCHEMBL12295002 0.89 ROCK2 (0.42) HTR1AROCK2DRD2DRD3LMNA
SCHEMBL12295007 0.89 ROCK2 (0.42) HTR1AROCK2DRD2DRD3LMNA
SCHEMBL5592450 0.89 ROCK2 (0.42) HTR1AROCK2DRD2DRD3LMNA
SCHEMBL1738324 0.88 HTR1A (0.46) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL6694402 0.87 HTR1A (0.48) 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 10 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-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-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
EP-1836164-B1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS GE HEALTHCARE LTD (GB) 2011-08-24 EP disclosed
EP-1836164-B1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS GE HEALTHCARE LTD (GB) 2011-08-24 EP disclosed
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents GE HEALTHCARE LIMITED (GB) 2008-08-28 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
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents GE HEALTHCARE LIMITED (GB) 2008-08-28 US disclosed
EP-1836164-A1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS Pfizer Products Inc. (US) 2007-09-26 EP disclosed
WO-2006075226-A1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS PFIZER PRODUCTS INC. (US) 2006-07-20 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-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.