SCHEMBL6405038

SCHEMBL6405038

Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)CCC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.43
MTNR1B P49286 2/20 0.43
MCHR1 Q99705 1/20 0.43
PIK3CD O00329 1/20 0.40
USP30 Q70CQ3 1/20 0.39
GRIA2 P42262 2/20 0.38
CYP11B2 P19099 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
SCHEMBL6406566 0.85 MTNR1B (0.48) DRD2MTNR1BPIK3CDUSP30
SCHEMBL6404916 0.85 DRD2 (0.61) DRD2MTNR1BCYP11B2
SCHEMBL6406808 0.82 CNR2 (0.51) PIK3CDCYP11B2
SCHEMBL6405018 0.81 DRD2 (0.57) DRD2MTNR1BCYP11B2
SCHEMBL6409744 0.81 DRD2 (0.57) DRD2MTNR1B
SCHEMBL6404494 0.81 DRD2 (0.57) DRD2MTNR1B
SCHEMBL6405122 0.80 MTNR1B (0.44) DRD2MTNR1B
SCHEMBL6405877 0.80 DRD2 (0.44) DRD2MTNR1BCYP11B2
SCHEMBL6407645 0.79 MTNR1B (0.43) DRD2MTNR1B
SCHEMBL6404866 0.78 DRD2 (0.43) DRD2MTNR1BPIK3CDGRIA2CYP11B2

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 3 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
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 18/4885MTNR1B 63/4885MCHR1 111/4885

“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.