SCHEMBL4514532

SCHEMBL4514532

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.37
P2RX7 Q99572 1/20 0.37
HSD11B1 P28845 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
TSHR P16473 4/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALOX15 P16050 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
SCHEMBL4512980 0.82 TSHR (0.42) PER2P2RX7LMNACYP3A4CYP2C19
SCHEMBL4500707 0.82 LMNA (0.49) PER2P2RX7HSD11B1LMNACYP1A2
SCHEMBL4510049 0.81 LMNA (0.40) PER2P2RX7LMNACYP1A2CYP3A4
SCHEMBL4507396 0.81 P2RX7 (0.44) P2RX7HSD11B1CYP1A2CYP3A4CYP2D6
SCHEMBL4509440 0.76 HSD11B1 (0.44) P2RX7HSD11B1LMNAALDH1A1KDM4E
SCHEMBL4513935 0.74 CYP2D6 (0.53) P2RX7CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13674487 0.71 HSD11B1 (0.46) HSD11B1LMNAALDH1A1TSHRHTT
SCHEMBL4512739 0.71 HSD11B1 (0.46) HSD11B1LMNAALDH1A1TSHRHTT
SCHEMBL4500988 0.70 KCNH2 (0.48) P2RX7LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4510323 0.69 P2RX7 (0.51) P2RX7CYP1A2CYP3A4CYP2D6CYP2C19

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 PER2 1429/4885P2RX7 3946/4885HSD11B1 1/4885

“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.