SCHEMBL6405838

SCHEMBL6405838

COc1ccc(CNC(=O)c2ccc3c(c2)C(N2CCN(C)CC2)CCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.58
DRD2 P14416 1/20 0.57
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
MTNR1A P48039 1/20 0.50
GFER P55789 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL6405348 0.90 KMT2A (0.58) MTNR1BDRD2TP53MAPTNAMPT
SCHEMBL6407460 0.89 HTR2C (0.58) MTNR1BDRD2TP53MAPTPOLB
SCHEMBL6409555 0.89 HTR2C (0.58) MTNR1BDRD2MAPTPOLBNAMPT
SCHEMBL6409860 0.87 HTR2C (0.48)
SCHEMBL6405785 0.86 HTR2C (0.49) MTNR1BDRD2NAMPT
SCHEMBL6406000 0.86 CXCR3 (0.51) MTNR1BDRD2
SCHEMBL6407639 0.85 HTR2C (0.49) MTNR1BDRD2ALDH1A1
SCHEMBL6411669 0.83 RAB9A (0.57) MTNR1BMAPTNAMPTALDH1A1
SCHEMBL6406698 0.82 HTR2C (0.53) MTNR1B
SCHEMBL6404451 0.82 HTR2C (0.53) TP53MAPTPOLBNAMPT

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 MTNR1B 63/4885DRD2 18/4885PDE4A 1099/4885

“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.