SCHEMBL6404233

SCHEMBL6404233

CN1CCN(C2CCCc3ccc(-c4ccc5c(c4)OCCO5)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTNR1B P49286 2/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 2/20 0.39
HPGD P15428 1/20 0.38
HTR1A P08908 2/20 0.38
DRD1 P21728 2/20 0.38
HTR2A P28223 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
SCHEMBL6409744 0.81 DRD2 (0.57) MTNR1BDRD2
SCHEMBL6404494 0.81 DRD2 (0.57) MTNR1BDRD2
SCHEMBL6405122 0.80 MTNR1B (0.44) MTNR1BDRD2
SCHEMBL6405877 0.80 DRD2 (0.44) MTNR1BDRD2HTR1A
SCHEMBL6407645 0.79 MTNR1B (0.43) CYP2C19MTNR1BDRD2
SCHEMBL6405018 0.79 DRD2 (0.57) MTNR1BDRD2
SCHEMBL6404942 0.77 SIGMAR1 (0.49) MTNR1BCNR1CNR2DRD2
SCHEMBL6406929 0.77 MTNR1B (0.49) MTNR1BDRD2DRD1
SCHEMBL6405038 0.76 DRD2 (0.43) MTNR1BDRD2
SCHEMBL6404916 0.75 DRD2 (0.61) ALDH1A1MEN1KMT2AMTNR1BDRD2

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-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 WO 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 ALDH1A1 902/4885MEN1 2941/4885KMT2A 983/4885

“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.