SCHEMBL6405877

SCHEMBL6405877

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
MTNR1B P49286 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL6002172 0.89 OPRM1 (0.51) HTR1AHTR2CDRD3MTNR1BOPRM1
SCHEMBL6404494 0.88 DRD2 (0.57) DRD2HTR2CMTNR1B
SCHEMBL6409744 0.88 DRD2 (0.57) DRD2HTR2CMTNR1B
SCHEMBL6404942 0.86 SIGMAR1 (0.49) DRD2MTNR1B
SCHEMBL6405018 0.86 DRD2 (0.57) DRD2MTNR1BCYP17A1CYP3A4CYP11B2
SCHEMBL6405122 0.84 MTNR1B (0.44) DRD2MTNR1BOPRM1OPRD1OPRK1
SCHEMBL6407645 0.83 MTNR1B (0.43) DRD2HTR2CDRD3MTNR1BOPRM1
SCHEMBL6404018 0.82 DRD2 (0.48) DRD2HTR2CMTNR1B
SCHEMBL6406929 0.81 MTNR1B (0.49) DRD2DRD3MTNR1BCYP3A4
SCHEMBL6002146 0.81 HTR1A (0.45) HTR1AHTR2CDRD3

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 18/4885HTR1A 1/4885HTR2C 8/4885

“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.