SCHEMBL6407417

SCHEMBL6407417

CN1CCN(C2CCCc3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)cc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
MLYCD O95822 1/20 0.50
MEN1 O00255 1/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HTR2C P28335 3/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 1/20 0.47
MAPK14 Q16539 1/20 0.46
BRAF P15056 2/20 0.46
ROCK2 O75116 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CHRM3 P20309 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
SCHEMBL6405785 0.90 HTR2C (0.49) KMT2AHTR2CDRD3HTR1ABRAF
SCHEMBL6404451 0.88 HTR2C (0.53) GAAHTR2CDRD3HTR1AROCK2
SCHEMBL6406698 0.86 HTR2C (0.53) HTR2CDRD3HTR1A
SCHEMBL6405348 0.85 KMT2A (0.58) GAAKMT2AALDH1A1
SCHEMBL6409860 0.84 HTR2C (0.48) MEN1CYP1A2CYP2C19KMT2AHTR2C
SCHEMBL6407639 0.84 HTR2C (0.49) KMT2AHTR2CDRD3HTR1AROCK2
SCHEMBL6409555 0.83 HTR2C (0.58) GAAKMT2AHTR2CDRD3HTR1A
SCHEMBL6406000 0.83 CXCR3 (0.51) KMT2AHTR2CDRD3HTR1AROCK2
SCHEMBL6407460 0.82 HTR2C (0.58) KMT2AHTR2CDRD3HTR1A
SCHEMBL6405838 0.80 MTNR1B (0.58) ALDH1A1

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 HRH4 89/4885MLYCD 4086/4885MEN1 2941/4885

“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.