SCHEMBL6406088

SCHEMBL6406088

COc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.47
CHRNA7 P36544 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
DRD2 P14416 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
DRD4 P21917 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
SCHEMBL6406626 0.86 DRD2 (0.60) MTNR1BCHRNA7DRD2MEN1ALDH1A1
SCHEMBL6406929 0.86 MTNR1B (0.49) MTNR1BCHRNA7SIGMAR1DRD2CYP3A4
SCHEMBL6409744 0.83 DRD2 (0.57) MTNR1BCHRNA7DRD2
SCHEMBL6404494 0.83 DRD2 (0.57) MTNR1BCHRNA7DRD2
SCHEMBL6405872 0.81 MTNR1B (0.55) MTNR1BCHRNA7SIGMAR1
SCHEMBL6405877 0.79 DRD2 (0.44) MTNR1BDRD2CYP3A4
SCHEMBL6001623 0.79 MTNR1B (0.70) MTNR1BSIGMAR1
SCHEMBL6002154 0.79 CHRNA7 (0.58) CHRNA7DRD2
SCHEMBL6406566 0.77 MTNR1B (0.48) MTNR1BDRD2
SCHEMBL6404018 0.77 DRD2 (0.48) MTNR1BCHRNA7DRD2

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 63/4885CHRNA7 82/4885SIGMAR1 91/4885

“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.