SCHEMBL4500988

SCHEMBL4500988

O=C1N(Cc2c(Cl)cccc2Cl)CCN1CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
GRM2 Q14416 1/20 0.48
DRD2 P14416 3/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
DRD3 P35462 1/20 0.41
TSHR P16473 3/20 0.41
P2RX7 Q99572 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
CYP2A13 Q16696 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 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
SCHEMBL4513935 0.87 CYP2D6 (0.53) KCNH2DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL4501138 0.80 CYP2D6 (0.59) KCNH2DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL4510323 0.78 P2RX7 (0.51) KCNH2DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL4503325 0.76 CYP2D6 (0.74) CYP1A2CYP3A4CYP2D6CYP2C19NPSR1
SCHEMBL4516856 0.76 P2RX7 (0.46) KCNH2DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL4500707 0.75 LMNA (0.49) CYP1A2CYP3A4CYP2D6CYP2C19NPSR1
SCHEMBL4510049 0.74 LMNA (0.40) KCNH2DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL4516861 0.74 CYP2D6 (0.58) KCNH2DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL4510232 0.74 P2RX7 (0.58) KCNH2DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL4511608 0.72 KMT2A (0.52) CYP1A2CYP3A4CYP2D6CYP2C19HTT

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 KCNH2 3570/4885GRM2 3152/4885DRD2 4099/4885

“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.