SCHEMBL3465753

SCHEMBL3465753

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CCCNC(=O)C(C)(C)C)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.36
DRD4 P21917 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
THRB P10828 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
RORC P51449 3/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2925320 0.90 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3561065 0.90 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14272005 0.90 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8260236 0.90 REN (0.43) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2924682 0.90 REN (0.43) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2926612 0.89 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1040158 0.89 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3556956 0.88 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2916732 0.88 REN (0.34) RENMAPTCYP3A4CYP2C19THRB
SCHEMBL2923834 0.88 REN (0.37) RENMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 REN 1/4885DRD4 415/4885MAPT 3109/4885

“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.