SCHEMBL172612

SCHEMBL172612

CC[C@H](NC(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
AOC3 Q16853 1/20 0.42
EPHX2 P34913 2/20 0.41
TRPA1 O75762 1/20 0.41
KCNA5 P22460 1/20 0.40

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
SCHEMBL13302608 1.00 LMNA (0.46) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL12312555 1.00 LMNA (0.46) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL2847032 0.88 LMNA (0.52) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL9272437 0.85 AOC3 (0.44) LMNAALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL28552790 0.84 SIGMAR1 (0.55) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL28552787 0.84 SIGMAR1 (0.55) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL24191865 0.83 ALDH1A1 (0.53) LMNAALDH1A1TSHRHSD17B10TDP1
SCHEMBL14454181 0.83 RIPK1 (0.47) LMNAALDH1A1EPHX2TRPA1
SCHEMBL13995900 0.83 ALDH1A1 (0.53) LMNAALDH1A1TSHRHSD17B10TDP1
SCHEMBL23260715 0.83 TAAR1 (0.54) SIGMAR1TAAR1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 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 (5 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-20100298276-A1 THYROID RECEPTOR LIGANDS TSHR, THRA, THRB LMNA 4844/4885KDM4E 3520/4885ALDH1A1 2909/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS LMNA 1681/4885KDM4E 4338/4885ALDH1A1 4236/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 LMNA 3964/4885KDM4E 1253/4885ALDH1A1 2070/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB LMNA 3680/4885KDM4E 2506/4885ALDH1A1 2997/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS LMNA 1681/4885KDM4E 4338/4885ALDH1A1 4236/4885

“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.