SCHEMBL6404916

SCHEMBL6404916

CN1CCN(C2CCCc3ccc(-c4cccnc4)cc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.61
CYP11B1 P15538 7/20 0.51
CYP11B2 P19099 6/20 0.51
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
HTR6 P50406 1/20 0.43
MTNR1B P49286 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
SCHEMBL6405018 0.85 DRD2 (0.57) DRD2CYP11B2CYP3A4CYP17A1HTR6
SCHEMBL6409744 0.85 DRD2 (0.57) DRD2MTNR1B
SCHEMBL6404494 0.85 DRD2 (0.57) DRD2MTNR1B
SCHEMBL6405038 0.85 DRD2 (0.43) DRD2CYP11B2MTNR1B
SCHEMBL6404866 0.82 DRD2 (0.43) DRD2CYP11B1CYP11B2MTNR1B
SCHEMBL6406566 0.80 MTNR1B (0.48) DRD2MTNR1B
SCHEMBL6405122 0.79 MTNR1B (0.44) DRD2MTNR1B
SCHEMBL6405877 0.79 DRD2 (0.44) DRD2CYP11B2CYP3A4CYP17A1MTNR1B
SCHEMBL6406649 0.79 DRD2 (0.63) DRD2HTR6MTNR1B
SCHEMBL6405872 0.79 MTNR1B (0.55) MTNR1B

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 2 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 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 18/4885CYP11B1 955/4885CYP11B2 1151/4885

“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.