SCHEMBL17013155

SCHEMBL17013155

COc1ccc(C(C)NC2CC2)cc1OCCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
TUBB1 Q9H4B7 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
C5 P01031 2/20 0.39
SMPD1 P17405 2/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
PDE4B Q07343 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
REN P00797 2/20 0.38
FPR2 P25090 1/20 0.37

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
SCHEMBL12524621 0.88 KDM1A (0.45) KDM1ALMNAHTTSMN1; SMN2CA1
SCHEMBL16471626 0.85 DUT (0.40) LMNAHTTSMN1; SMN2
SCHEMBL12526938 0.83 KDM1A (0.58) KDM1ASMN1; SMN2CA1CA2ACHE
SCHEMBL19526671 0.82 ACHE (0.45) LMNAHTTSMN1; SMN2ACHEALDH1A1
SCHEMBL19526664 0.81 DUT (0.40) LMNAHTTSMN1; SMN2
SCHEMBL17013263 0.81 PDE4A (0.47) KDM1ACA1CA2ACHEPDE4B
SCHEMBL12524628 0.80 PARP10 (0.41) LMNAHTTACHE
SCHEMBL16471673 0.79 CNR2 (0.36) LMNAHTTSMN1; SMN2ACHE
SCHEMBL16471639 0.78 CNR1 (0.42) REN
SCHEMBL19526988 0.76 REN (0.41) TUBB1LMNACA1CA2EHMT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE KDM1A 1197/4885TUBB1 4573/4885LMNA 3348/4885

“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.