SCHEMBL6405935

SCHEMBL6405935

CN1CCN(C2CCCc3ccc(C4CCN(C(=O)c5ccc(C(F)(F)F)cc5)CC4)cc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
CNR1 P21554 2/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC9A1 P19634 1/20 0.44
FASN P49327 2/20 0.43
HSD11B1 P28845 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MTNR1B P49286 2/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 1/20 0.42
MGLL Q99685 1/20 0.41
MAPK7 Q13164 1/20 0.41
ALOX15 P16050 1/20 0.41
CNR2 P34972 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
SCHEMBL22411195 1.00 EPHX2 (0.46) EPHX2CNR1GAATDP1HPGD
SCHEMBL6405842 0.91 PROKR1 (0.50) EPHX2CNR1HPGDMEN1TSHR
SCHEMBL6403192 0.79 QDPR (0.47) CNR1MTNR1BCNR2
SCHEMBL6407049 0.79 CNR1 (0.56) EPHX2CNR1MEN1KMT2ACNR2
SCHEMBL6413104 0.79 CNR1 (0.44) CNR1HPGDTSHRKMT2AMTNR1B
SCHEMBL6405961 0.77 HPGD (0.46) HPGDKMT2AMTNR1B
SCHEMBL6404942 0.77 SIGMAR1 (0.49) CNR1MTNR1BCNR2P2RY14
SCHEMBL6405785 0.76 HTR2C (0.49) KMT2AMTNR1B
SCHEMBL23605305 0.73 GAA (0.50) EPHX2CNR1GAATDP1HPGD
SCHEMBL6404770 0.73 HTR2C (0.50) MTNR1B

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 3 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
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 EPHX2 965/4885CNR1 48/4885GAA 4739/4885

“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.