SCHEMBL4503472

SCHEMBL4503472

O=C1N(Cc2ccc(C(F)(F)F)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.45
HSD11B1 P28845 2/20 0.44
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PER2 O15055 2/20 0.41
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 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
SCHEMBL4516335 0.80 BTK (0.51) P2RX7ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4517574 0.79 P2RX7 (0.47) P2RX7ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4517138 0.78 HSD11B1 (0.52) P2RX7HSD11B1ALDH1A1KMT2AMEN1
SCHEMBL4515953 0.78 CTSD (0.46) P2RX7HSD11B1ALDH1A1KMT2AMEN1
SCHEMBL4512404 0.74 P2RX7 (0.45) P2RX7ALDH1A1LMNAKMT2AMEN1
SCHEMBL4500707 0.73 LMNA (0.49) P2RX7HSD11B1ALDH1A1LMNAKMT2A
SCHEMBL4503707 0.73 P2RX7 (0.45) P2RX7ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4507396 0.70 P2RX7 (0.44) P2RX7HSD11B1ALDH1A1KMT2AMEN1
SCHEMBL4507417 0.70 NPSR1 (0.47) P2RX7ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4517466 0.69 TSHR (0.42) P2RX7ALDH1A1KMT2AMEN1KDM4E

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 P2RX7 3946/4885HSD11B1 1/4885ALDH1A1 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.