SCHEMBL3083172

SCHEMBL3083172

Nc1ccccc1N1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 1.00
ADRA2C P18825 1/20 0.64
GAA P10253 7/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 4/20 0.57
HTT P42858 3/20 0.57
S100B P04271 2/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
ALOX15 P16050 1/20 0.57
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 2/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL73609 1.00 KEAP1 (1.00) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL29947204 1.00 KEAP1 (1.00) KEAP1ADRA2CGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL23850930 0.98 KEAP1 (0.96) KEAP1ADRA2CGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL30501407 0.98 KEAP1 (0.96) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL29938274 0.98 KEAP1 (0.95) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL484010 0.98 KEAP1 (0.95) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL30664040 0.93 KEAP1 (0.87) KEAP1ADRA2CGAAMEN1KMT2A
Sulfuric Acid SCHEMBL8339039 0.89 KEAP1 (0.79) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL11775877 0.88 ADRA2C (0.79) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL23152040 0.88 ADRA2C (0.79) KEAP1ADRA2CGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US claimed
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US disclosed
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US disclosed
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 US disclosed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 EP disclosed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 EP disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
US-7429603-B2 Such as 5-nitro-furan-2-carboxylic acid (2-piperidin-1-yl-phenyl)-amide; diabetes, angiogenesis, psoriasis, restenosis, schizophrenia, rheumatoid arthritis, cardiovascular disease, cancer 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 US disclosed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-5216152-A To yield hexamethyleneimine, hexamethylenediamine, and n-/6-aminohexyl/hexamethyleneimine E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-01 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 (4 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 KEAP1 3912/4885ADRA2C 2427/4885GAA 154/4885
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 KEAP1 1775/4885ADRA2C 750/4885GAA 1526/4885
US-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER KEAP1 2972/4885ADRA2C 2871/4885GAA 4492/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER KEAP1 3351/4885ADRA2C 2719/4885GAA 4304/4885

“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.