SCHEMBL6407049

SCHEMBL6407049

CN1CCN(C2CCCc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
CTSS P25774 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
TRPV4 Q9HBA0 2/20 0.49
MAPT P10636 2/20 0.47
EPHX2 P34913 2/20 0.47
RORC P51449 1/20 0.46
HTR1A P08908 3/20 0.46
HTR1D P28221 2/20 0.46
HTR1F P30939 2/20 0.46
HTR1B P28222 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45
DPP4 P27487 1/20 0.45

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
SCHEMBL6405291 0.91 CNR1 (0.55) CNR1CNR2CTSSSMN1; SMN2MAPT
SCHEMBL6409520 0.90 CNR1 (0.54) CNR1CNR2CTSSSMN1; SMN2MAPT
SCHEMBL6405025 0.89 TRPV1 (0.60) CNR1CNR2CTSSEPHX2MEN1
SCHEMBL6306897 0.88 CTSS (0.66) CNR1CNR2CTSSSMN1; SMN2RORC
SCHEMBL6405601 0.87 CTSS (0.52) CNR1CNR2CTSSSMN1; SMN2MAPT
SCHEMBL6406033 0.85 CTSS (0.51) CNR1CNR2CTSSSMN1; SMN2MAPT
SCHEMBL6411711 0.84 TP53 (0.57) CNR1CNR2CTSSSMN1; SMN2MAPT
SCHEMBL6405785 0.83 HTR2C (0.49) RORCHTR1AKMT2AHTR2CDRD3
SCHEMBL6405856 0.81 CNR1 (0.47) CNR1CNR2CTSSRORCHTR1A
SCHEMBL6409467 0.80 KMT2A (0.55) CTSSSMN1; SMN2MAPTMEN1KMT2A

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 CNR1 48/4885CNR2 66/4885CTSS 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.