SCHEMBL90562

SCHEMBL90562

CCN(CC)CCNC(=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 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.45
LMNA P02545 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1911396 0.93 REN (0.46) RENGPR119ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL90061 0.93 REN (0.46) RENGPR119ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL89536 0.92 REN (0.44) RENGPR119ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL89792 0.92 REN (0.49) RENGPR119ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL89697 0.91 REN (0.49) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89114 0.90 REN (0.47) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89822 0.90 REN (0.44) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL1911409 0.90 REN (0.44) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89904 0.90 REN (0.44) RENGPR119ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL90131 0.89 REN (0.43) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9

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 1/4885LMNA 1594/4885GPR119 861/4885

“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.