SCHEMBL89692

SCHEMBL89692

COCCN1C(=O)COc2ccc(NC3CC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRKCQ Q04759 2/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
REN P00797 1/20 0.43
BRD4 O60885 1/20 0.42
POLB P06746 4/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL89564 0.93 TSHR (0.57) TSHRKDM4EMEN1KMT2APRKCQ
SCHEMBL89019 0.92 TSHR (0.56) TSHRKDM4EMEN1KMT2APRKCQ
SCHEMBL8265645 0.89 POLB (0.46) TSHRMEN1KMT2APRKCQCYP3A4
SCHEMBL10185293 0.84 POLB (0.47) TSHRMEN1KMT2APRKCQCYP3A4
SCHEMBL8265361 0.81 SCD (0.50) TSHRMEN1KMT2ACYP3A4CYP2C19
SCHEMBL90232 0.80 ALDH1A1 (0.48) TSHRMEN1KMT2ACYP2C19REN
SCHEMBL10184668 0.79 POLB (0.52) TSHRMEN1KMT2APOLBTP53
SCHEMBL89411 0.79 TSHR (0.67) TSHRMEN1KMT2ACYP3A4CYP2C19
SCHEMBL8266103 0.79 PRKCQ (0.47) TSHRMEN1KMT2APRKCQCYP3A4
SCHEMBL56258 0.77 TSHR (0.57) TSHRKDM4EKMT2ARENPOLB

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 TSHR 1095/4885KDM4E 1650/4885MEN1 2336/4885

“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.