SCHEMBL4104705

SCHEMBL4104705

COC(=O)C1CCN(c2ncc(C(=O)O)cc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MALT1 Q9UDY8 3/20 0.45
NEK2 P51955 1/20 0.45
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MPL P40238 1/20 0.44
GAA P10253 1/20 0.44
CXCR3 P49682 1/20 0.43

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
SCHEMBL31297177 0.87 MAPT (0.54) P2RY12KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL5314024 0.87 MAPT (0.54) P2RY12KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL31297176 0.87 MAPT (0.54) P2RY12KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL29079000 0.86 MPL (0.52) KDM4ESMN1; SMN2LMNAMALT1NEK2
SCHEMBL4111137 0.85 P2RY12 (0.48) P2RY12KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL3690660 0.83 KMT2A (0.49) P2RY12KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL24213966 0.80 P2RY12 (0.44) P2RY12KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL28458747 0.80 CNR2 (0.50) P2RY12KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL4111253 0.79 CXCR3 (0.49) P2RY12LMNAMPLCXCR3
SCHEMBL400589 0.79 TRPV1 (0.49) P2RY12SMN1; SMN2MAPTCYP2C9CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080739-B Synthesis method of 5-chloro-6- (4- (ethoxycarbonyl) piperidin-1-yl) nicotinic acid 深圳智微通科技有限公司 2025-02-25 CN disclosed
CN-119080739-A Synthesis method of 5-chloro-6- (4- (ethoxycarbonyl) piperidin-1-yl) nicotinic acid 深圳智微通科技有限公司 2024-12-06 CN disclosed
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO 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 (2 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 P2RY12 1/4885KDM4E 3376/4885SMN1; SMN2 3557/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885KDM4E 2316/4885SMN1; SMN2 4121/4885

“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.