SCHEMBL4518018

SCHEMBL4518018

C[C@H](c1ccccc1)N1CCC(Cc2c(F)cccc2F)C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 2/20 0.39
CYP2D6 P10635 1/20 0.37
GNRHR P30968 3/20 0.37
ACE P12821 1/20 0.37

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
SCHEMBL14177638 1.00 ROCK2 (0.44) ROCK2KMT2AALDH1A1HPGDMAPK1
SCHEMBL14177643 1.00 ROCK2 (0.44) ROCK2KMT2AALDH1A1HPGDMAPK1
SCHEMBL5130451 1.00 ROCK2 (0.44) ROCK2KMT2AALDH1A1HPGDMAPK1
SCHEMBL14177715 0.87 KMT2A (0.41) KMT2AALDH1A1HPGDMAPK1HSD11B1
SCHEMBL14177719 0.87 KMT2A (0.41) KMT2AALDH1A1HPGDMAPK1HSD11B1
SCHEMBL14177618 0.86 KMT2A (0.46) ROCK2KMT2AALDH1A1HPGDMAPK1
SCHEMBL14177564 0.86 KMT2A (0.46) ROCK2KMT2AALDH1A1HPGDMAPK1
SCHEMBL4513989 0.86 KMT2A (0.46) ROCK2KMT2AALDH1A1HPGDMAPK1
SCHEMBL14177619 0.86 KMT2A (0.46) ROCK2KMT2AALDH1A1HPGDMAPK1
SCHEMBL14177566 0.86 KMT2A (0.46) ROCK2KMT2AALDH1A1HPGDMAPK1

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ROCK2 2463/4885KMT2A 2379/4885ALDH1A1 51/4885

“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.