SCHEMBL6404866

SCHEMBL6404866

Cc1ccncc1-c1ccc2c(c1)C(N1CCN(C)CC1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.43
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
ABL1 P00519 1/20 0.43
MAP4K1 Q92918 1/20 0.42
GRIA2 P42262 1/20 0.41
MTNR1B P49286 1/20 0.41
PIK3CD O00329 1/20 0.38

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
SCHEMBL6406626 0.84 DRD2 (0.60) DRD2MTNR1B
SCHEMBL6405018 0.83 DRD2 (0.57) DRD2CYP11B2MTNR1B
SCHEMBL6404916 0.82 DRD2 (0.61) DRD2CYP11B2CYP11B1MTNR1B
SCHEMBL6410633 0.81 ABL1 (0.44) DRD2CYP11B2CYP11B1ABL1MAP4K1
SCHEMBL6405038 0.78 DRD2 (0.43) DRD2CYP11B2GRIA2MTNR1BPIK3CD
SCHEMBL6409744 0.76 DRD2 (0.57) DRD2MTNR1B
SCHEMBL6404494 0.76 DRD2 (0.57) DRD2MTNR1B
SCHEMBL6406649 0.75 DRD2 (0.63) DRD2MTNR1B
SCHEMBL6406088 0.75 MTNR1B (0.47) DRD2MTNR1B
SCHEMBL6405122 0.75 MTNR1B (0.44) DRD2MTNR1B

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-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 18/4885CYP11B2 1151/4885CYP11B1 955/4885

“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.