SCHEMBL4515061

SCHEMBL4515061

O=C1N(Cc2c(Cl)cccc2Cl)CCN1N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
CYP2A13 Q16696 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
GBA1 P04062 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 3/20 0.39
P2RX7 Q99572 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 3/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 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
SCHEMBL4514855 0.86 CYP2A13 (0.55) NPSR1HTTKMT2ACYP1A2CYP3A4
SCHEMBL4513935 0.82 CYP2D6 (0.53) NPSR1HTTKMT2ACYP1A2CYP3A4
SCHEMBL8675453 0.79 ERCC1 (0.52) KMT2AALDH1A1LMNARAB9AP2RX7
SCHEMBL4501138 0.75 CYP2D6 (0.59) NPSR1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4500707 0.74 LMNA (0.49) NPSR1HTTKMT2ACYP1A2CYP3A4
SCHEMBL4524082 0.74 POLB (0.51) NPSR1HTTKMT2ACYP1A2CYP3A4
SCHEMBL4510323 0.74 P2RX7 (0.51) NPSR1HTTCYP1A2CYP3A4CYP2D6
SCHEMBL8672693 0.72 ALDH1A1 (0.54) HTTKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4503325 0.72 CYP2D6 (0.74) NPSR1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4500988 0.72 KCNH2 (0.48) NPSR1HTTCYP1A2CYP3A4CYP2D6

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 NPSR1 2333/4885HTT 3659/4885KMT2A 2379/4885

“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.