SCHEMBL6407645

SCHEMBL6407645

CN1CCN(C2CCCc3ccc(-c4cc(Cl)cc(Cl)c4)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.43
DRD2 P14416 11/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
HRH1 P35367 3/20 0.39
HTR2C P28335 3/20 0.39
DRD4 P21917 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL6405122 0.88 MTNR1B (0.44) MTNR1BDRD2OPRM1OPRD1OPRK1
SCHEMBL6001636 0.85 DRD2 (0.52) MTNR1BDRD2OPRM1OPRD1OPRK1
SCHEMBL6404494 0.84 DRD2 (0.57) MTNR1BDRD2HTR2CCHRNA7
SCHEMBL6409744 0.84 DRD2 (0.57) MTNR1BDRD2HTR2CCHRNA7
SCHEMBL6405877 0.83 DRD2 (0.44) MTNR1BDRD2OPRM1OPRD1OPRK1
SCHEMBL6405018 0.82 DRD2 (0.57) MTNR1BDRD2CYP3A4
SCHEMBL6406929 0.80 MTNR1B (0.49) MTNR1BDRD2CYP3A4DRD3CHRNA7
SCHEMBL6404942 0.80 SIGMAR1 (0.49) MTNR1BDRD2
SCHEMBL6405038 0.79 DRD2 (0.43) MTNR1BDRD2
SCHEMBL6404233 0.79 ALDH1A1 (0.47) MTNR1BDRD2CYP2C19

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 4 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
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 63/4885DRD2 18/4885OPRM1 32/4885

“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.