SCHEMBL13544733

SCHEMBL13544733

CC(=O)C(C)(C)n1cncn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
CYP19A1 P11511 4/20 0.39
EGLN3 Q9H6Z9 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 1/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
CYP26A1 O43174 1/20 0.30

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
SCHEMBL1200642 0.83 LMNA (0.96) LMNATSHRMAPTKMT2ACYP19A1
Hydrochloric Acid SCHEMBL247629 0.81 LMNA (1.00) LMNATSHRMAPTKMT2ACYP19A1
SCHEMBL9746578 0.81 LMNA (0.66) LMNATSHRMAPTKMT2ACYP19A1
SCHEMBL16422647 0.79 LMNA (0.63) LMNATSHRMAPTKMT2ACYP19A1
SCHEMBL11235519 0.78 LMNA (0.56) LMNATSHRMAPTKMT2ACYP19A1
SCHEMBL6656012 0.78 LMNA (0.61) LMNATSHRMAPTKMT2ACYP19A1
SCHEMBL11235515 0.78 LMNA (0.56) LMNATSHRMAPTKMT2ACYP19A1
SCHEMBL10516203 0.76 LMNA (0.55) LMNATSHRMAPTKMT2ACYP19A1
SCHEMBL17731478 0.76 LMNA (0.59) LMNATSHRMAPTKMT2ACYP19A1
Alcohol SCHEMBL28264675 0.74 LMNA (0.52) LMNATSHRMAPTKMT2ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
WO-2015103509-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 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-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA LMNA 4085/4885TSHR 503/4885MAPT 385/4885

“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.