SCHEMBL3099550

SCHEMBL3099550

COC[C@H](C)COCc1ccc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.41
TACR1 P25103 1/20 0.38
REN P00797 2/20 0.37
KCNH2 Q12809 2/20 0.37
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
CYP3A4 P08684 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
KDM1A O60341 1/20 0.35
ATM Q13315 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL3099564 1.00 ALK (0.41) ALKTACR1RENKCNH2TSHR
SCHEMBL556576 0.89 TACR1 (0.37) TACR1RENKCNH2TSHRALOX15
SCHEMBL2404325 0.89 ALK (0.43) ALKTACR1TSHRALOX15GPR119
SCHEMBL555641 0.89 TACR1 (0.37) ALKTACR1RENKCNH2TSHR
SCHEMBL556775 0.87 TACR1 (0.36) ALKTACR1RENKCNH2TSHR
SCHEMBL556532 0.78 REN (0.37) RENKCNH2CYP3A4
SCHEMBL8194747 0.78 ALK (0.49) ALKGPR119
SCHEMBL8194742 0.78 ALK (0.49) ALKGPR119
SCHEMBL8194760 0.77 YAP1 (0.49) ALKTACR1GPR119
SCHEMBL8194978 0.77 YAP1 (0.49) ALKTACR1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES NOVARTIS AG 2010-10-07 US disclosed
EP-2212315-A1 TRISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009050253-A1 TRISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2009-04-23 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-20100256146-A1 TRISUBSTITUTED PIPERIDINES REN, AGTR1, AGTR2 ALK 1756/4885TACR1 44/4885REN 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.