SCHEMBL4512980

SCHEMBL4512980

O=C1N(Cc2c(Cl)cccc2Cl)CCN1C1CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
PARP1 P09874 1/20 0.39
CYP2A13 Q16696 2/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.36
C5AR1 P21730 1/20 0.35
ATM Q13315 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PER2 O15055 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL4514532 0.82 PER2 (0.37) TSHRALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL4500707 0.81 LMNA (0.49) TSHRALDH1A1CYP2C19MEN1CYP3A4
SCHEMBL4517466 0.81 TSHR (0.42) TSHRCYP2A13ALDH1A1CYP2C19MEN1
SCHEMBL4510049 0.80 LMNA (0.40) TSHRCYP2A13ALDH1A1CYP2C19CYP3A4
SCHEMBL4513830 0.77 HSD11B1 (0.43) TSHRPARP1ALDH1A1CYP2C19MEN1
SCHEMBL4513935 0.73 CYP2D6 (0.53) TSHRCYP2A13ALDH1A1CYP2C19CYP3A4
SCHEMBL4500714 0.71 HSD11B1 (0.45) TSHRPARP1ALDH1A1CYP2C19MEN1
SCHEMBL30962064 0.69 NOTUM (0.48) PARP1ALDH1A1CYP2C19MEN1CYP3A4
SCHEMBL4500988 0.69 KCNH2 (0.48) TSHRCYP2A13ALDH1A1CYP2C19CYP3A4
SCHEMBL4515258 0.68 HSD11B1 (0.42) TSHRALDH1A1CYP2C19CYP3A4NPSR1

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 TSHR 3390/4885PARP1 2840/4885CYP2A13 109/4885

“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.