SCHEMBL3671316

SCHEMBL3671316

CN1CCC(c2cccc3[nH]ncc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.47
PIK3CA P42336 1/20 0.46
MET P08581 1/20 0.45
IDO1 P14902 1/20 0.44
ACVR1 Q04771 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
NOS1 P29475 3/20 0.42
AXL P30530 1/20 0.42
HTR2A P28223 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
THPO P40225 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL17739153 0.82 CREBBP (0.56) TRPV1PIK3CAKDM4E
SCHEMBL17739088 0.82 JAK1 (0.46) TRPV1PIK3CAMETIDO1
SCHEMBL17053409 0.79 MET (0.50) TRPV1METIDO1NOS1AXL
SCHEMBL22808947 0.78 MET (0.44) TRPV1METIDO1NOS1AXL
SCHEMBL4686484 0.77 SLC6A4 (0.44) TRPV1METIDO1NOS1AXL
SCHEMBL8082211 0.77 MET (0.49) TRPV1METIDO1NOS1AXL
SCHEMBL6360875 0.77 DRD2 (0.50) ROCK2ROCK1
SCHEMBL4684070 0.77 MET (0.45) TRPV1METIDO1NOS1AXL
SCHEMBL14102482 0.76 NOS1 (0.49) TRPV1METIDO1NOS1AXL
SCHEMBL3682166 0.76 KDM4E (0.55) KDM4EATMHTR2AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101730680-A Has 5-HT 64 ' the compound that replaces of receptor affinity MEMORY PHARM CORP 2010-06-09 CN disclosed
EP-2162433-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-03-17 EP disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 US disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 US disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 US disclosed
WO-2008147812-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-04 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-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR3B TRPV1 990/4885PIK3CA 2895/4885MET 1305/4885

“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.