SCHEMBL6404873

SCHEMBL6404873

CN1CCN(C2CCCc3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.52
HTR2C P28335 3/20 0.47
CTSS P25774 2/20 0.47
ALDH1A1 P00352 2/20 0.45
DRD3 P35462 3/20 0.45
HTR1A P08908 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MTNR1A P48039 4/20 0.43
TSHR P16473 1/20 0.41

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
SCHEMBL29404649 0.90 HTR2C (0.47) MTNR1BHTR2CCTSSALDH1A1DRD3
SCHEMBL28690252 0.90 HTR2C (0.47) MTNR1BHTR2CCTSSALDH1A1DRD3
SCHEMBL22411069 0.88 MTNR1B (0.51) MTNR1BHTR2CALDH1A1DRD3HTR1A
SCHEMBL6405239 0.86 MTNR1B (0.55) MTNR1BHTR2CDRD3HTR1ACNR1
SCHEMBL2259511 0.84 MTNR1B (0.53) MTNR1BCNR1CNR2MTNR1A
SCHEMBL2576042 0.81 ABL1 (0.44) MTNR1BHTR2CALDH1A1DRD3MTNR1A
SCHEMBL2573895 0.81 ABL1 (0.44) MTNR1BHTR2CALDH1A1DRD3MTNR1A
SCHEMBL2575580 0.81 ABL1 (0.44) MTNR1BHTR2CALDH1A1DRD3MTNR1A
SCHEMBL6405341 0.81 MTNR1B (0.50) MTNR1BDRD3HTR1ATSHR
Hydrochloric Acid SCHEMBL28064738 0.80 ABL1 (0.44) MTNR1BHTR2CALDH1A1DRD3MTNR1A

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 MTNR1B 63/4885HTR2C 8/4885CTSS 3418/4885

“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.