SCHEMBL5773987

SCHEMBL5773987

C=C(N1CCCC1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12935890 0.97 ALDH1A1 (0.42) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL19287007 0.94 ALDH1A1 (0.36) ALDH1A1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL25171691 0.79 ALDH1A1 (0.35) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL19961008 0.79 CYP1A2 (0.42) ALDH1A1HPGDCYP1A2ALOX15NPSR1
SCHEMBL27422774 0.77 HRH3 (0.33)
SCHEMBL25692084 0.77 HRH3 (0.33)
SCHEMBL25168569 0.77 ALDH1A1 (0.39) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL800726 0.77 SMN1; SMN2 (0.44) ALDH1A1MAPTTP53CA2CA12
SCHEMBL15106966 0.77 L3MBTL3 (0.45) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21523905 0.75 PHGDH (0.43) ALDH1A1MAPTHPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 US disclosed
US-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 US disclosed
EP-3582780-B1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS LILLY CO ELI (US) 2021-10-13 EP disclosed
US-10676479-B2 Imidazolepyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-09 US disclosed
US-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-08-01 US disclosed
US-10220036-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2019-03-05 US disclosed
US-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-12-07 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO 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 (8 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-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, BMI1 ALDH1A1 344/4885MAPT 877/4885HPGD 3856/4885
US-20230159465-A1 IMMUNOMODULATOR IL2, IL17A, IL2RA ALDH1A1 302/4885MAPT 4448/4885HPGD 249/4885
US-10220036-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED ALDH1A1 529/4885MAPT 1539/4885HPGD 3499/4885
US-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA ALDH1A1 261/4885MAPT 4112/4885HPGD 174/4885
US-10676479-B2 Imidazolepyridine compounds and uses thereof EZH2, DOT1L, BMI1 ALDH1A1 344/4885MAPT 877/4885HPGD 3856/4885
US-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED ALDH1A1 529/4885MAPT 1539/4885HPGD 3499/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 ALDH1A1 27/4885MAPT 275/4885HPGD 3545/4885
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF ACE, ACE2, MME ALDH1A1 215/4885MAPT 633/4885HPGD 3780/4885

“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.