SCHEMBL18650433

SCHEMBL18650433

C[C@H]1CC[C@H](COCc2ccccc2)OC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HRH4 Q9H3N8 4/20 0.45
HRH3 Q9Y5N1 4/20 0.45
TAAR1 Q96RJ0 1/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
PTPN1 P18031 2/20 0.39
CDC25B P30305 1/20 0.39
DRD1 P21728 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL417603 0.83 LMNA (0.48) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL25309758 0.83 LMNA (0.48) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL1566074 0.83 LMNA (0.48) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL25308726 0.83 LMNA (0.48) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL25307033 0.82 LMNA (0.45) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL25306201 0.82 LMNA (0.45) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL30063100 0.82 TAAR1 (0.47) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL29867904 0.81 LMNA (0.44) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL10420228 0.80 LMNA (0.54) LMNAHRH4HRH3TAAR1TSHR
SCHEMBL19559233 0.80 LMNA (0.54) LMNAHRH4HRH3TAAR1TSHR

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-20180222902-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 US disclosed
US-9796710-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170081327-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-03-23 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 (2 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-20180222902-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA LMNA 4465/4885HRH4 335/4885HRH3 532/4885
US-20170081327-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA LMNA 4408/4885HRH4 273/4885HRH3 431/4885

“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.