SCHEMBL89199

SCHEMBL89199

COCCCN1C(=O)COc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NCCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 5/20 0.39
UTS2R Q9UKP6 4/20 0.39
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM1 P11229 2/20 0.35
REN P00797 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL90405 0.91 TSHR (0.40) TSHRTP53UTS2RPOLBREN
SCHEMBL88888 0.91 TSHR (0.40) TSHRTP53UTS2RPOLBREN
SCHEMBL90021 0.90 TSHR (0.40) TSHRTP53UTS2RPOLBCHRM1
SCHEMBL90025 0.88 TSHR (0.41) TSHRTP53UTS2RPOLBREN
SCHEMBL90026 0.88 THRB (0.39) TSHRTP53UTS2RPOLBCHRM1
SCHEMBL89197 0.87 REN (0.45) SMN1; SMN2TSHRTP53POLBRAB9A
SCHEMBL90622 0.85 TSHR (0.38) TSHRTP53UTS2RPOLBCYP3A4
SCHEMBL88941 0.85 REN (0.42) TSHRTP53UTS2RPOLBREN
SCHEMBL89709 0.83 REN (0.41) TSHRTP53UTS2RPOLBREN
SCHEMBL90061 0.81 REN (0.46) SMN1; SMN2TSHRPOLBCYP2C9CYP2C19

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 5 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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP 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 SMN1; SMN2 1867/4885TSHR 1095/4885TP53 3771/4885

“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.