SCHEMBL4524075

SCHEMBL4524075

C#CC1(N2CCC(Cc3c(Cl)cccc3Cl)C2=O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSD11B1 P28845 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
OPRL1 P41146 3/20 0.33
TSHR P16473 2/20 0.33
CYP2A13 Q16696 2/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1B P35368 1/20 0.33
ROCK2 O75116 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3004281 0.77 KMT2A (0.41) LMNAKDM4EALDH1A1TDP1TSHR
SCHEMBL4502450 0.76 OPRM1 (0.39) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3881879 0.74 LMNA (0.38) LMNAKDM4EALDH1A1TDP1OPRM1
SCHEMBL4507429 0.74 EPHX2 (0.37) KDM4EALDH1A1HSD11B1TSHRCYP2A13
SCHEMBL14365292 0.72 HSD11B1 (0.36) HSD11B1ROCK2
SCHEMBL3553955 0.72 HSD11B1 (0.64) LMNAALDH1A1HSD11B1POLBSMN1; SMN2
SCHEMBL4514217 0.72 KMT2A (0.41) LMNAKDM4EALDH1A1HSD11B1TSHR
SCHEMBL4515755 0.70 DPP4 (0.43) LMNAKDM4EALDH1A1HSD11B1OPRM1
SCHEMBL4501207 0.70 P2RX7 (0.34) LMNAKDM4EALDH1A1TDP1HSD11B1
SCHEMBL4509814 0.69 SIGMAR1 (0.44) LMNAALDH1A1HSD11B1KMT2A

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 2846/4885KDM4E 2703/4885ALDH1A1 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.