SCHEMBL6409730

SCHEMBL6409730

CN1CCN(C2CCCc3ccc(NC(=O)c4ccc(N5CCOCC5)nc4)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
MAPT P10636 4/20 0.52
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
HTT P42858 1/20 0.49
RORC P51449 1/20 0.48
RAB9A P51151 4/20 0.48
STAT3 P40763 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MCHR1 Q99705 1/20 0.45
ACKR3 P25106 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
FGFR1 P11362 2/20 0.45
CYP2C9 P11712 2/20 0.45

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
SCHEMBL6406680 0.83 MTNR1B (0.47) CNR1CNR2
SCHEMBL6406808 0.80 CNR2 (0.51) CNR1CNR2
SCHEMBL6527780 0.80 MTNR1B (0.44) CNR1CNR2
SCHEMBL6306897 0.79 CTSS (0.66) CNR1CNR2SMN1; SMN2HTTRORC
SCHEMBL6405291 0.78 CNR1 (0.55) CNR1CNR2MAPTSMN1; SMN2LMNA
SCHEMBL6405601 0.78 CTSS (0.52) CNR1CNR2MAPTSMN1; SMN2LMNA
SCHEMBL4765153 0.78 ADRA1A (0.54) MAPTCYP2C19CYP1A2SMN1; SMN2LMNA
SCHEMBL6407049 0.77 CNR1 (0.56) CNR1CNR2MAPTSMN1; SMN2RORC
SCHEMBL6409520 0.77 CNR1 (0.54) CNR1CNR2MAPTSMN1; SMN2LMNA
SCHEMBL6408539 0.77 CNR1 (0.52) CNR1CNR2MAPTCYP2C19SMN1; SMN2

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 CNR1 48/4885CNR2 66/4885MAPT 3268/4885

“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.