SCHEMBL1007492

SCHEMBL1007492

OCc1nn(Cc2ccc(F)cc2)c2c1CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
FABP4 P15090 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
KCNK3 O14649 5/20 0.40
TSHR P16473 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
SCHEMBL8430774 0.86 MEN1 (0.47) HTTLMNASMN1; SMN2FABP4KCNK3
SCHEMBL1005503 0.84 HRH3 (0.47) SMN1; SMN2ALDH1A1
SCHEMBL1006441 0.84 SMN1; SMN2 (0.44) HTTSMN1; SMN2ALDH1A1FABP4SIGMAR1
SCHEMBL10479729 0.83 LMNA (0.46) HTTLMNASMN1; SMN2FABP4KCNK3
SCHEMBL17328065 0.82 KCNH2 (0.40) SIGMAR1
Hydrochloric Acid SCHEMBL17317506 0.81 KCNH2 (0.40) SIGMAR1
SCHEMBL9148169 0.79 PTGS2 (0.45)
SCHEMBL4218086 0.78 FABP4 (0.50) HTTLMNASMN1; SMN2ALDH1A1FABP4
SCHEMBL17317731 0.78 KCNK3 (0.48) SIGMAR1KCNK3
SCHEMBL10479643 0.77 GRIA2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US claimed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP claimed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
US-5387693-A Intermediates for inhibitors of cholesterol biosynthesis ORTHO PHARMACEUTICAL CORPORATION (US) 1995-02-07 US disclosed
US-5315012-A Prevention of hypercholesterolemia, hyperlipoproteinemia and atherosclerosis ORTHO PHARMACEUTICAL CORPORATION (US) 1994-05-24 US disclosed
US-5250561-A Anticholesterool agents; prevention of hyperlipoproteinemia and atherosclerosis ORTHO PHARMACEUTICAL CORPORATION (US) 1993-10-05 US disclosed
EP-0529854-A2 Tetrahydroindazole, tetrahydrocyclopentapyrazole, and hexahydrocycloheptapyrazole compounds and their use as HMG-COA reductase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1993-03-03 EP disclosed
US-5134155-A Anticholesterol ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-28 US 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 HTT 3487/4885LMNA 4015/4885SMN1; SMN2 3616/4885

“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.