SCHEMBL6405626

SCHEMBL6405626

CN1CCN(C2CCCc3ccc(NC(=O)c4ccc(OC5=CCCCC5)cc4)cc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MTNR1B P49286 3/20 0.44
RORC P51449 4/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
OPRM1 P35372 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR2C P28335 3/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
DRD3 P35462 2/20 0.39
MTNR1A P48039 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
SCHEMBL6411711 0.84 TP53 (0.57) CTSSCNR1CNR2MTNR1BRORC
SCHEMBL6405601 0.82 CTSS (0.52) CTSSCNR1CNR2MTNR1BRORC
SCHEMBL6405025 0.82 TRPV1 (0.60) CTSSCNR1CNR2MTNR1BNPC1
SCHEMBL6306897 0.81 CTSS (0.66) CTSSCNR1CNR2MTNR1BRORC
SCHEMBL6406033 0.81 CTSS (0.51) CTSSCNR1CNR2MTNR1BRORC
SCHEMBL6405291 0.81 CNR1 (0.55) CTSSCNR1CNR2RORCLMNA
SCHEMBL6407049 0.80 CNR1 (0.56) CTSSCNR1CNR2RORCTP53
SCHEMBL6409520 0.80 CNR1 (0.54) CTSSCNR1CNR2MTNR1BRORC
SCHEMBL6409467 0.79 KMT2A (0.55) CTSSMTNR1BNPC1RAB9AHTR2C
SCHEMBL6405856 0.77 CNR1 (0.47) CTSSCNR1CNR2MTNR1BRORC

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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US claimed
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 CTSS 3418/4885CNR1 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.