SCHEMBL4510049

SCHEMBL4510049

O=C1CCC(N2CCN(Cc3c(Cl)cccc3Cl)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PER2 O15055 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
P2RX7 Q99572 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 1/20 0.37
CYP2A13 Q16696 1/20 0.37
POLB P06746 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
NOTUM Q6P988 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4500707 0.88 LMNA (0.49) LMNAPER2NPSR1HTTP2RX7
SCHEMBL4514532 0.81 PER2 (0.37) LMNAPER2NPSR1HTTP2RX7
SCHEMBL4512980 0.80 TSHR (0.42) LMNAPER2NPSR1HTTP2RX7
SCHEMBL4513935 0.79 CYP2D6 (0.53) NPSR1HTTP2RX7CYP1A2CYP3A4
SCHEMBL4512404 0.78 P2RX7 (0.45) LMNAP2RX7CYP1A2CYP3A4CYP2D6
SCHEMBL4515258 0.76 HSD11B1 (0.42) NPSR1P2RX7CYP1A2CYP3A4CYP2D6
SCHEMBL4500988 0.74 KCNH2 (0.48) LMNANPSR1HTTP2RX7CYP1A2
SCHEMBL4512741 0.73 HSD11B1 (0.49) LMNAP2RX7SCN9APOLBALDH1A1
SCHEMBL4501138 0.72 CYP2D6 (0.59) LMNANPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL4510323 0.71 P2RX7 (0.51) NPSR1HTTP2RX7CYP1A2CYP3A4

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 LMNA 2846/4885PER2 1429/4885NPSR1 2333/4885

“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.