SCHEMBL6404942

SCHEMBL6404942

CN1CCN(C2CCCc3ccc(-c4ccc(C(F)(F)F)cc4)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
TMEM97 Q5BJF2 1/20 0.44
CHKA P35790 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
DRD2 P14416 3/20 0.42
MTNR1B P49286 2/20 0.42
MCHR1 Q99705 2/20 0.41
HRH3 Q9Y5N1 1/20 0.38
P2RY14 Q15391 1/20 0.37

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
SCHEMBL6405877 0.86 DRD2 (0.44) DRD2MTNR1B
SCHEMBL6405018 0.85 DRD2 (0.57) DRD2MTNR1B
SCHEMBL6409744 0.85 DRD2 (0.57) DRD2MTNR1BHRH3
SCHEMBL6404494 0.85 DRD2 (0.57) DRD2MTNR1BHRH3
SCHEMBL6405122 0.81 MTNR1B (0.44) DRD2MTNR1B
SCHEMBL6409507 0.80 SLC6A5 (0.48) MTNR1BMCHR1HRH3
SCHEMBL6407645 0.80 MTNR1B (0.43) DRD2MTNR1B
SCHEMBL6407049 0.80 CNR1 (0.56) CNR1CNR2
SCHEMBL6404018 0.79 DRD2 (0.48) CHKADRD2MTNR1BHRH3
SCHEMBL6406929 0.78 MTNR1B (0.49) SIGMAR1DRD2MTNR1B

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 5 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
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 SIGMAR1 91/4885TMEM97 153/4885CHKA 3572/4885

“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.