SCHEMBL6409520

SCHEMBL6409520

CN1CCN(C2CCCc3ccc(NC(=O)c4ccc(C(C)(C)O)cc4)cc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
CTSS P25774 2/20 0.52
RORC P51449 4/20 0.46
HTR2C P28335 3/20 0.43
HTR1A P08908 3/20 0.43
HTR1D P28221 2/20 0.43
HTR1F P30939 2/20 0.43
HTR1B P28222 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
DRD3 P35462 2/20 0.43
MTNR1B P49286 2/20 0.42
DHODH Q02127 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
SCHEMBL6405291 0.93 CNR1 (0.55) CNR1CNR2CTSSRORCHTR2C
SCHEMBL6407049 0.90 CNR1 (0.56) CNR1CNR2CTSSRORCHTR2C
SCHEMBL6306897 0.88 CTSS (0.66) CNR1CNR2CTSSRORCHTR2C
SCHEMBL6405601 0.87 CTSS (0.52) CNR1CNR2CTSSRORCHTR2C
SCHEMBL6406033 0.85 CTSS (0.51) CNR1CNR2CTSSRORCHTR2C
SCHEMBL6405025 0.85 TRPV1 (0.60) CNR1CNR2CTSSNPC1RAB9A
SCHEMBL6411711 0.84 TP53 (0.57) CNR1CNR2CTSSRORCMAPT
SCHEMBL6405856 0.83 CNR1 (0.47) CNR1CNR2CTSSRORCHTR2C
SCHEMBL6409467 0.80 KMT2A (0.55) CTSSHTR2CMAPTSMN1; SMN2NPC1
SCHEMBL6405626 0.80 CTSS (0.46) CNR1CNR2CTSSRORCHTR2C

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 4 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 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 CNR1 48/4885CNR2 66/4885CTSS 3418/4885

“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.