SCHEMBL5864286

SCHEMBL5864286

O=c1c2cc(N3CCNCC3)ccc2cnn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.51
HTR2B P41595 3/20 0.51
HTR6 P50406 3/20 0.51
DRD2 P14416 2/20 0.51
TDP1 Q9NUW8 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR5A P47898 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRB2 P07550 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
DPP4 P27487 3/20 0.43

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
SCHEMBL5863900 0.89 ALDH1A1 (0.47) HTR2CHTR2BHTR6DRD2TDP1
SCHEMBL5864100 0.85 ALDH1A1 (0.47) HTR2CHTR2BHTR6DRD2TDP1
SCHEMBL5863818 0.80 CCR2 (0.43) TDP1SIGMAR1HSD17B10ALDH1A1HTT
SCHEMBL5863967 0.76 TDP1 (0.56) TDP1HSD17B10ALDH1A1HTTAURKA
SCHEMBL29703247 0.74 TDP1 (0.72) TDP1HSD17B10ALDH1A1HTTMEN1
SCHEMBL9027681 0.74 TDP1 (0.72) TDP1HSD17B10ALDH1A1HTTMEN1
SCHEMBL5864124 0.74 HTR6 (0.54) HTR6DPP4HSD17B10ALDH1A1HTT
SCHEMBL5864061 0.74 ALDH1A1 (0.45) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL22989950 0.74 PKM (0.58) HTR2CHTR6ADRB2HSD17B10ALDH1A1
SCHEMBL8352589 0.74 HTR3A (0.61) HTR3ADPP4

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-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC HTR2C 1149/4885HTR2B 515/4885HTR6 1531/4885

“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.