SCHEMBL4127798

SCHEMBL4127798

Clc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.41
SIGMAR1 Q99720 6/20 0.40
GRIN2B Q13224 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
AHR P35869 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL4130376 0.88 HTR1A (0.43) HTR1DGRIN2BOPRM1OPRD1OPRK1
SCHEMBL4132535 0.87 OPRM1 (0.44) HTR1DGRIN2BOPRM1OPRD1OPRK1
SCHEMBL4136629 0.87 OPRM1 (0.44) HTR1DGRIN2BOPRM1OPRD1OPRK1
SCHEMBL4141143 0.87 OPRM1 (0.44) HTR1DGRIN2BOPRM1OPRD1OPRK1
SCHEMBL4139998 0.84 HRH3 (0.45) HTR1DGRIN2BKMT2AOPRM1OPRD1
SCHEMBL4145248 0.83 GRIN2B (0.51) HTR1DGRIN2BOPRM1OPRD1OPRK1
SCHEMBL4130547 0.83 HTR1A (0.46) HTR1DGRIN2BOPRM1OPRD1OPRK1
SCHEMBL4147479 0.82 FYN (0.44) HTR1DGRIN2BOPRK1HTR1AHTR7
SCHEMBL4148545 0.82 HTR1A (0.44) HTR1DGRIN2BCYP3A4MEN1KMT2A
SCHEMBL4141821 0.81 ALDH1A1 (0.39) SIGMAR1CYP3A4CYP2C19AHRMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 HTR1D 25/4885SIGMAR1 782/4885GRIN2B 86/4885

“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.