SCHEMBL884801

SCHEMBL884801

COCCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCN(S(=O)(=O)c4cnn(C)c4)C3)c2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
REN P00797 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
BCL9 O00512 2/20 0.32
CTNNB1 P35222 2/20 0.32
KMT2A Q03164 1/20 0.32
USP1 O94782 1/20 0.32
MAPK8 P45983 1/20 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
SCHEMBL2062532 0.97 HTR1A (0.38) HTR1AHTR7CYP3A4CYP2D6ALDH1A1
SCHEMBL885566 0.94 HTR1A (0.36) HTR1AHTR7CYP3A4CYP2D6ALDH1A1
SCHEMBL885904 0.94 HTR1A (0.36) HTR1AHTR7CYP3A4CYP2D6ALDH1A1
SCHEMBL2062324 0.93 ALDH1A1 (0.38) CYP3A4CYP2D6ALDH1A1TSHRLMNA
SCHEMBL884782 0.93 REN (0.38) RENALDH1A1LMNACYP2C19BCL9
SCHEMBL884654 0.92 POLB (0.35) HTR1AHTR7ALDH1A1LMNABCL9
SCHEMBL885861 0.91 SMN1; SMN2 (0.37) HTR1AHTR7CYP2D6ALDH1A1TSHR
SCHEMBL885934 0.91 HTR1A (0.35) HTR1AHTR7CYP3A4CYP2D6ALDH1A1
SCHEMBL884720 0.90 HTR1A (0.34) HTR1AHTR7LMNABCL9CTNNB1
SCHEMBL885437 0.89 ROCK2 (0.36) HTR1AHTR7ALDH1A1LMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT HTR1A 2474/4885HTR7 1418/4885REN 1/4885

“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.