SCHEMBL6403231

SCHEMBL6403231

CN1CCN(C2CCCc3ccc(C4CCNCC4)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.42
HTR6 P50406 3/20 0.39
DRD3 P35462 1/20 0.39
QDPR P09417 2/20 0.38
HTR2C P28335 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
CHRNA7 P36544 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL6403192 0.90 QDPR (0.47) MTNR1BHTR6DRD3QDPRCHRNA7
SCHEMBL6404493 0.88 CYP2D6 (0.42) MTNR1BDRD3
SCHEMBL6409562 0.82 SLC6A2 (0.50) MTNR1BDRD3
SCHEMBL6001636 0.76 DRD2 (0.52) MTNR1BDRD3HTR2C
SCHEMBL6405341 0.76 MTNR1B (0.50) MTNR1BDRD3
SCHEMBL6406991 0.76 MTNR1B (0.47) MTNR1BCHRNA7CNR1CNR2
SCHEMBL6002172 0.76 OPRM1 (0.51) MTNR1BDRD3HTR2CCNR1CNR2
SCHEMBL6000179 0.75 MTNR1B (0.45) MTNR1BHTR2CCHRNA7CNR1CNR2
SCHEMBL7677474 0.74 MTNR1B (0.57) MTNR1BHTR2CSIGMAR1
SCHEMBL6001623 0.74 MTNR1B (0.70) MTNR1BSIGMAR1

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 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 MTNR1B 63/4885HTR6 20/4885DRD3 33/4885

“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.