SCHEMBL6404494

SCHEMBL6404494

CN1CCN(C2CCCc3ccc(-c4ccc(-c5ccccc5)cc4)cc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.57
CHRNA7 P36544 1/20 0.46
MTNR1B P49286 2/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL6409744 1.00 DRD2 (0.57) DRD2CHRNA7MTNR1BHRH3HTR2C
SCHEMBL6404018 0.90 DRD2 (0.48) DRD2CHRNA7MTNR1BHRH3HTR2C
SCHEMBL6405877 0.88 DRD2 (0.44) DRD2MTNR1BHTR2C
SCHEMBL6405018 0.87 DRD2 (0.57) DRD2MTNR1B
SCHEMBL6410620 0.85 HRH3 (0.50) DRD2MTNR1BHRH3
SCHEMBL6405122 0.85 MTNR1B (0.44) DRD2CHRNA7MTNR1B
SCHEMBL6404916 0.85 DRD2 (0.61) DRD2MTNR1B
SCHEMBL6405872 0.85 MTNR1B (0.55) CHRNA7MTNR1B
SCHEMBL6406626 0.85 DRD2 (0.60) DRD2CHRNA7MTNR1B
SCHEMBL6404942 0.85 SIGMAR1 (0.49) DRD2MTNR1BHRH3

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 5 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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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 DRD2 18/4885CHRNA7 82/4885MTNR1B 63/4885

“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.