SCHEMBL6404770

SCHEMBL6404770

CN1CCN(C2CCCc3ccc(OCCNC(=O)c4ccc(C(F)(F)F)cc4)cc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
DRD3 P35462 2/20 0.50
HTR1A P08908 1/20 0.50
MTNR1B P49286 5/20 0.49
TRPV1 Q8NER1 3/20 0.49
SLC6A5 Q9Y345 5/20 0.47
DHODH Q02127 1/20 0.45
CXCR3 P49682 1/20 0.43
MTNR1A P48039 2/20 0.42
NQO2 P16083 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL6406051 0.91 MTNR1B (0.47) HTR2CDRD3HTR1AMTNR1BTRPV1
SCHEMBL6405785 0.82 HTR2C (0.49) HTR2CDRD3HTR1AMTNR1BSLC6A5
SCHEMBL6409507 0.81 SLC6A5 (0.48) MTNR1BSLC6A5HRH3
SCHEMBL6407049 0.80 CNR1 (0.56) HTR2CDRD3HTR1A
SCHEMBL6407417 0.77 HRH4 (0.52) HTR2CDRD3HTR1A
SCHEMBL6405025 0.75 TRPV1 (0.60) MTNR1BTRPV1HRH3
SCHEMBL6403218 0.74 MTNR1B (0.50) MTNR1BSLC6A5MTNR1A
SCHEMBL6405838 0.74 MTNR1B (0.58) MTNR1BMTNR1A
SCHEMBL6408320 0.74 MTNR1B (0.45) HTR2CDRD3HTR1AMTNR1BSLC6A5
SCHEMBL6409860 0.74 HTR2C (0.48) HTR2CDRD3HTR1A

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 HTR2C 8/4885DRD3 33/4885HTR1A 1/4885

“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.