SCHEMBL4500707

SCHEMBL4500707

O=C1N(Cc2c(Cl)cccc2Cl)CCN1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
PER2 O15055 4/20 0.43
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX7 Q99572 1/20 0.39
CCR5 P51681 1/20 0.38
HSD11B1 P28845 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4510049 0.88 LMNA (0.40) LMNATSHRALDH1A1ALOX15PER2
SCHEMBL4514532 0.82 PER2 (0.37) LMNATSHRALDH1A1ALOX15PER2
SCHEMBL4512980 0.81 TSHR (0.42) LMNATSHRALDH1A1PER2MEN1
SCHEMBL4513935 0.80 CYP2D6 (0.53) TSHRALDH1A1ALOX15POLBKMT2A
SCHEMBL4500988 0.75 KCNH2 (0.48) LMNATSHRALDH1A1ALOX15POLB
SCHEMBL4515258 0.75 HSD11B1 (0.42) TSHRALDH1A1ALOX15POLBNPSR1
SCHEMBL4515061 0.74 NPSR1 (0.40) LMNATSHRALDH1A1ALOX15MEN1
SCHEMBL4501138 0.73 CYP2D6 (0.59) LMNAALDH1A1MEN1POLBKMT2A
SCHEMBL4516335 0.73 BTK (0.51) LMNATSHRALDH1A1ALOX15MEN1
SCHEMBL4503472 0.73 P2RX7 (0.45) LMNATSHRALDH1A1ALOX15PER2

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 2846/4885TSHR 3390/4885ALDH1A1 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.