SCHEMBL89289

SCHEMBL89289

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.52
NTRK1 P04629 3/20 0.35
KCNH2 Q12809 4/20 0.33
ALDH1A1 P00352 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
SCHEMBL89318 1.00 REN (0.52) RENNTRK1KCNH2ALDH1A1
SCHEMBL89306 1.00 REN (0.52) RENNTRK1KCNH2ALDH1A1
SCHEMBL89375 1.00 REN (0.52) RENNTRK1KCNH2ALDH1A1
SCHEMBL90728 0.93 REN (0.47) RENNTRK1KCNH2ALDH1A1
SCHEMBL89540 0.89 REN (0.53) RENALDH1A1
SCHEMBL89940 0.89 REN (0.41) RENNTRK1ALDH1A1
SCHEMBL90677 0.89 REN (0.41) RENNTRK1ALDH1A1
SCHEMBL89800 0.89 REN (0.41) RENNTRK1ALDH1A1
SCHEMBL90076 0.89 REN (0.41) RENNTRK1ALDH1A1
SCHEMBL89525 0.88 REN (0.51) RENALDH1A1

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 1586/4885KCNH2 415/4885

“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.