SCHEMBL89384

SCHEMBL89384

CC1(C)Cc2ccc(NC3CC3)cc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
IP6K1 Q92551 1/20 0.36
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.34
PDK2 Q15119 2/20 0.34
SMYD3 Q9H7B4 2/20 0.34
MAPK14 Q16539 2/20 0.34
TRPV1 Q8NER1 3/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
OTUD7B Q6GQQ9 2/20 0.32

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
SCHEMBL13382920 0.82 HTR6 (0.38) BRD4PDK2CRBNOTUD7B
SCHEMBL31714291 0.77 OTUD7B (0.48) POLBOTUD7B
SCHEMBL1709850 0.75 SYK (0.71) SYK
SCHEMBL89354 0.75 TRPV1 (0.53) SMYD3MAPK14TRPV1DDB1CRBN
SCHEMBL23685921 0.73 CYP3A4 (0.45) POLBBRD4OTUD7B
SCHEMBL56945 0.73 KDM4E (0.50) SYKPOLBBRD4
SCHEMBL3593368 0.72 PDK2 (0.34) POLBPDK2CA9OTUD7B
SCHEMBL1709821 0.72 CA9 (0.53) PDK2CA9OTUD7B
SCHEMBL30645893 0.72 ESR2 (0.39) BRD4OTUD7B
SCHEMBL23675075 0.72 CYP1A2 (0.44) OTUD7B

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 SYK 1268/4885IP6K1 3445/4885POLB 589/4885

“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.