SCHEMBL6405025

SCHEMBL6405025

CN1CCN(C2CCCc3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.60
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
CTSS P25774 1/20 0.49
EPHX2 P34913 1/20 0.48
NAMPT P43490 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
MTNR1B P49286 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL6407049 0.89 CNR1 (0.56) CNR1CNR2CTSSEPHX2MEN1
SCHEMBL6405601 0.88 CTSS (0.52) CNR1CNR2CTSSMTNR1BNPC1
SCHEMBL6411711 0.87 TP53 (0.57) CNR1CNR2CTSSKMT2AMTNR1B
SCHEMBL6405291 0.85 CNR1 (0.55) CNR1CNR2CTSSNPC1RAB9A
SCHEMBL6409520 0.85 CNR1 (0.54) CNR1CNR2CTSSMTNR1BNPC1
SCHEMBL6306897 0.84 CTSS (0.66) CNR1CNR2CTSSMTNR1BNPC1
SCHEMBL6405626 0.82 CTSS (0.46) TRPV1CNR1CNR2CTSSMTNR1B
SCHEMBL6409467 0.82 KMT2A (0.55) CTSSMEN1KMT2AMTNR1BNPC1
SCHEMBL6406033 0.82 CTSS (0.51) CNR1CNR2CTSSMTNR1BNPC1
SCHEMBL6405856 0.80 CNR1 (0.47) CNR1CNR2CTSSNAMPTMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US claimed
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D TRPV1 320/4885CNR1 48/4885CNR2 66/4885

“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.