SCHEMBL6406680

SCHEMBL6406680

CN1CCN(C2CCCc3ccc(OC(=O)c4ccc(N5CCOCC5)nc4)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.47
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA1A P35348 3/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MTNR1A P48039 4/20 0.40
FKBP1A P62942 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 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
SCHEMBL6527780 0.96 MTNR1B (0.44) MTNR1BALDH1A1KDM4EPOLBHPGD
SCHEMBL6409730 0.83 CNR1 (0.54) CNR1CNR2
SCHEMBL6406808 0.80 CNR2 (0.51) CNR1CNR2
SCHEMBL6403876 0.73 ADRA1D (0.46) MTNR1BADRA1ACNR1CNR2HRH3
SCHEMBL6405239 0.71 MTNR1B (0.55) MTNR1BALOX15HSD17B10CNR1CNR2
SCHEMBL6404873 0.70 MTNR1B (0.52) MTNR1BALDH1A1CNR1CNR2MTNR1A
SCHEMBL6001623 0.69 MTNR1B (0.70) MTNR1BMTNR1A
SCHEMBL22411069 0.69 MTNR1B (0.51) MTNR1BALDH1A1KDM4EHSD17B10CNR1
SCHEMBL64370 0.68 NPC1 (0.71) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL6531816 0.67 MTNR1B (0.55) MTNR1BMTNR1A

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 63/4885ALDH1A1 902/4885KDM4E 3080/4885

“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.