SCHEMBL89940

SCHEMBL89940

CCO[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@H]1C[C@@H](C(=O)N(c2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)C2CC2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.41
NTRK1 P04629 4/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
UTS2R Q9UKP6 3/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL89800 1.00 REN (0.41) RENNTRK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL90076 1.00 REN (0.41) RENNTRK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL90677 1.00 REN (0.41) RENNTRK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL90604 0.90 REN (0.41) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL90146 0.89 REN (0.42) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL90664 0.89 REN (0.42) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89530 0.89 REN (0.40) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89532 0.89 REN (0.40) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89306 0.89 REN (0.52) RENNTRK1ALDH1A1
SCHEMBL89318 0.89 REN (0.52) RENNTRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885NTRK1 1586/4885ALDH1A1 38/4885

“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.