SCHEMBL4139998

SCHEMBL4139998

Clc1cccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 3/20 0.43
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
GRIN2B Q13224 1/20 0.41
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL4141143 0.88 OPRM1 (0.44) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL4136629 0.88 OPRM1 (0.44) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL4132535 0.88 OPRM1 (0.44) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL4145248 0.86 GRIN2B (0.51) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL4136458 0.84 HRH3 (0.45) HRH3HTR1AHTR7KDM2BGRIN2B
SCHEMBL4141125 0.84 HTR1A (0.47) HRH3MCHR1HTR1AHTR7KDM2B
SCHEMBL4127798 0.84 HTR1D (0.41) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL4130376 0.83 HTR1A (0.43) OPRM1OPRD1OPRK1OPRL1MCHR1
SCHEMBL4130877 0.81 HTR1A (0.46) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL4139692 0.81 HRH3 (0.45) HRH3HTR1AHTR7GRIN2BHTR1D

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO 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 HRH3 1/4885OPRM1 324/4885OPRD1 207/4885

“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.