SCHEMBL6403192

SCHEMBL6403192

CN1CCC(c2ccc3c(c2)C(N2CCN(C)CC2)CCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.47
MTNR1B P49286 3/20 0.46
HTR6 P50406 3/20 0.40
DRD3 P35462 2/20 0.40
CHRNA7 P36544 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL6403231 0.90 MTNR1B (0.42) QDPRMTNR1BHTR6DRD3CHRNA7
SCHEMBL6409562 0.87 SLC6A2 (0.50) MTNR1BDRD3
SCHEMBL6404493 0.85 CYP2D6 (0.42) MTNR1BDRD3
SCHEMBL6001636 0.80 DRD2 (0.52) MTNR1BDRD3
SCHEMBL6002172 0.80 OPRM1 (0.51) MTNR1BDRD3CNR1CNR2
SCHEMBL6406991 0.80 MTNR1B (0.47) MTNR1BCHRNA7CNR1CNR2
SCHEMBL6405341 0.80 MTNR1B (0.50) MTNR1BDRD3
SCHEMBL6000179 0.80 MTNR1B (0.45) MTNR1BCHRNA7CNR1CNR2
SCHEMBL6405935 0.79 EPHX2 (0.46) MTNR1BCNR1CNR2
SCHEMBL22411195 0.79 EPHX2 (0.46) MTNR1BCNR1CNR2

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 QDPR 288/4885MTNR1B 63/4885HTR6 20/4885

“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.