SCHEMBL7983128

SCHEMBL7983128

O=C(NCC1CCN(CCCc2ccc(F)cc2F)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.40
HTR2C P28335 9/20 0.40
CCR3 P51677 2/20 0.39
HTR7 P34969 1/20 0.38
KDM1A O60341 1/20 0.36
DRD2 P14416 2/20 0.36
KCNH2 Q12809 2/20 0.36
HTR4 Q13639 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LTA4H P09960 1/20 0.35

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
Hydrochloric Acid SCHEMBL7972099 0.99 HTR2A (0.39) HTR2AHTR2CCCR3HTR7KDM1A
SCHEMBL7971786 0.92 KMT2A (0.40) CCR3KDM1AHTR4MEN1KMT2A
Hydrochloric Acid SCHEMBL7985629 0.91 KMT2A (0.39) CCR3KDM1AHTR4MEN1KMT2A
SCHEMBL7983503 0.89 KDM1A (0.42) CCR3HTR7KDM1ADRD2HTR4
SCHEMBL7989275 0.89 CCR3 (0.47) CCR3KDM1ALTA4H
SCHEMBL7986376 0.89 HTR7 (0.43) HTR2AHTR7KDM1AKCNH2HTR4
Hydrochloric Acid SCHEMBL7981947 0.89 KDM1A (0.41) CCR3HTR7KDM1ADRD2HTR4
Hydrochloric Acid SCHEMBL7986155 0.88 CCR3 (0.47) CCR3KDM1ALTA4H
Hydrochloric Acid SCHEMBL7982153 0.88 HTR7 (0.43) HTR2AHTR7KDM1AKCNH2HTR4
SCHEMBL7985386 0.87 HTR4 (0.42) HTR2AHTR7KDM1ADRD2HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes METABASIS THERAPEUTICS, INC. (US) 2008-01-03 US disclosed
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes METABASIS THERAPEUTICS, INC. (US) 2008-01-03 US disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 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-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes FBP1, G6PC1, IRS1 HTR2A 4558/4885HTR2C 4734/4885CCR3 4854/4885

“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.