SCHEMBL5045178

SCHEMBL5045178

Cc1nc2c3c(ccn2c1C)C(=O)C[C@@H](c1ccccc1)N3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP3A4 P08684 2/20 0.52
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
BRD4 O60885 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
NOS1 P29475 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE3B Q13370 1/20 0.33

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
SCHEMBL5040717 1.00 CYP2C9 (0.52) CYP2C9CYP3A4ATP4AATP4BBRD4
SCHEMBL5634862 0.85 CYP3A4 (0.41) CYP2C9CYP3A4ALDH1A1KMT2AHPGD
SCHEMBL5840196 0.85 CYP3A4 (0.41) CYP2C9CYP3A4ALDH1A1
SCHEMBL5634281 0.85 CYP3A4 (0.41) CYP2C9CYP3A4ATP4AATP4BBRD4
SCHEMBL6047154 0.79 CDK4 (0.41) CYP2C9CYP3A4BRD4CDK4CCND1
SCHEMBL5747928 0.77 CYP3A4 (0.43) CYP2C9CYP3A4ATP4AATP4BPDE5A
SCHEMBL1814134 0.77 CYP3A4 (0.43) CYP2C9CYP3A4ATP4AATP4BPDE5A
SCHEMBL1217601 0.77 CYP3A4 (0.43) CYP2C9CYP3A4ATP4AATP4BPDE5A
SCHEMBL1218640 0.77 CYP3A4 (0.43) CYP2C9CYP3A4ATP4AATP4BPDE5A
SCHEMBL1814676 0.75 CYP3A4 (0.46) CYP2C9CYP3A4ATP4AATP4BNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314935-B2 Tricyclic n-acyl compounds ALTANA PHARMA AG (DE) 2008-01-01 US disclosed
EP-1414821-B1 TRICYCLIC EPOXIDES ALTANA PHARMA AG (DE) 2006-08-16 EP disclosed
US-6927292-B2 Tricyclic epoxides ALTANA PHARMA AG (DE) 2005-08-09 US disclosed
US-20050148618-A1 Tricyclic n-acyl compounds ALTANA PHARMA AG (DE) 2005-07-07 US disclosed
EP-1476445-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA Pharma AG (DE) 2004-11-17 EP disclosed
US-20040176597-A1 Tricyclic epoxides ALTANA PHARMA AG (DE) 2004-09-09 US disclosed
EP-1414821-A1 TRICYCLIC EPOXIDES ALTANA Pharma AG (DE) 2004-05-06 EP disclosed
WO-2003068774-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA PHARMA AG (DE) 2003-08-21 WO disclosed
WO-2003014119-A1 TRICYCLIC EPOXIDES ALTANA PHARMA AG (DE) 2003-02-20 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-20050148618-A1 Tricyclic n-acyl compounds NAT1, AADAC, CYP1B1 CYP2C9 6/4885CYP3A4 17/4885ATP4A 2068/4885
US-20040176597-A1 Tricyclic epoxides VKORC1, CYP2E1, CYP1A2 CYP2C9 11/4885CYP3A4 14/4885ATP4A 1792/4885

“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.