SCHEMBL625677

SCHEMBL625677

Ic1ccc(N2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
MAPT P10636 7/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
KDM4E B2RXH2 4/20 0.54
ALOX15 P16050 3/20 0.54
NPC1 O15118 3/20 0.54
TP53 P04637 3/20 0.54
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
CHKA P35790 1/20 0.52
TRIM24 O15164 1/20 0.52

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
SCHEMBL133561 0.97 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1KDM4EALOX15
SCHEMBL10320300 0.97 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1KDM4EALOX15
SCHEMBL18815076 0.95 LTA4H (0.52) ALDH1A1MAPTL3MBTL1KDM4EALOX15
SCHEMBL14345952 0.89 AKR1C3 (0.57) ALDH1A1MAPTL3MBTL1KDM4EALOX15
SCHEMBL2174173 0.86 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1KDM4EALOX15
SCHEMBL6887590 0.83 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1KDM4EALOX15
Hydrochloric Acid SCHEMBL29475563 0.83 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1KDM4EALOX15
SCHEMBL17642581 0.83 AKR1C3 (0.57) ALDH1A1MAPTKDM4EALOX15NPC1
SCHEMBL24518338 0.81 CHKA (0.62) ALDH1A1MAPTKDM4ENPC1TP53
SCHEMBL2088597 0.81 LTA4H (0.42) ALDH1A1MAPTL3MBTL1KDM4EALOX15

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP claimed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO claimed
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 US disclosed
WO-2021101268-A1 BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 한국화학연구원 2021-05-27 WO disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
US-5776375-A CONTAINING NONLINEAR OPTICALLY ACTIVE POLYMER AKZO NOBEL N.V. (NL) 1998-07-07 US disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed
EP-0780722-A1 Electro-optical device stable in the 600-1600 nanometer wavelength range Akzo Nobel N.V. (NL) 1997-06-25 EP disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 US disclosed
US-4853381-A Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0223410-A2 Ethanolamine Derivatives GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 EP 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-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885MAPT 277/4885L3MBTL1 4639/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885MAPT 277/4885L3MBTL1 4639/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885MAPT 277/4885L3MBTL1 4639/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885MAPT 277/4885L3MBTL1 4639/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885MAPT 277/4885L3MBTL1 4639/4885

“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.