SCHEMBL7987096

SCHEMBL7987096

COC(=O)c1ccc(CCCC2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.56
CYP4F2 P78329 1/20 0.55
ITGB3 P05106 6/20 0.51
ITGA2B P08514 6/20 0.51
NMT1 P30419 3/20 0.47
HRH1 P35367 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Hydrochloric Acid SCHEMBL19585552 0.99 CYP4A11 (0.55) CYP4A11CYP4F2ITGB3ITGA2BNMT1
SCHEMBL27670154 0.92 CYP4A11 (0.51) CYP4A11CYP4F2ITGB3ITGA2BHRH1
Tert-Butyl Formate SCHEMBL28273106 0.91 CYP4A11 (0.47) CYP4A11CYP4F2ITGB3ITGA2BNMT1
SCHEMBL19922842 0.87 CYP4A11 (0.60) CYP4A11CYP4F2NMT1HRH1LOXL2
SCHEMBL4247366 0.83 GBA1 (0.51) CYP4A11CYP4F2LOXL2ALDH1A1
Hydrochloric Acid SCHEMBL28272966 0.82 ITGB3 (0.54) ITGB3ITGA2BNMT1HRH1ALDH1A1
Hydrochloric Acid SCHEMBL4777910 0.82 GBA1 (0.50) CYP4A11CYP4F2LOXL2ALDH1A1
Hydrochloric Acid SCHEMBL31753796 0.81 ITGB3 (0.50) ITGB3ITGA2BNMT1CYP2C9
SCHEMBL11061985 0.80 CYP4A11 (0.54) CYP4A11CYP4F2HRH1LOXL2ALDH1A1
SCHEMBL11061983 0.80 CYP4A11 (0.54) CYP4A11CYP4F2HRH1LOXL2ALDH1A1

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-11352322-B2 Cyclopropyl-amide compounds as dual LSD1/HDAC inhibitors Jubilant Epicore LLC (US) 2022-06-07 US disclosed
US-11352322-B2 Cyclopropyl-amide compounds as dual LSD1/HDAC inhibitors Jubilant Epicore LLC (US) 2022-06-07 US disclosed
US-20200308110-A1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS Jubilant Epicore LLC 2020-10-01 US disclosed
US-20200308110-A1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS Jubilant Epicore LLC 2020-10-01 US disclosed
EP-3455204-A1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS Jubilant Biosys Ltd. (IN) 2019-03-20 EP disclosed
WO-2017195216-A1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2017-11-16 WO disclosed
WO-2017195216-A1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2017-11-16 WO disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 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 (2 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-20200308110-A1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS HDAC1, HDAC11, HDAC2 CYP4A11 989/4885CYP4F2 2205/4885ITGB3 4855/4885
US-11352322-B2 Cyclopropyl-amide compounds as dual LSD1/HDAC inhibitors HDAC1, HDAC11, HDAC2 CYP4A11 989/4885CYP4F2 2205/4885ITGB3 4855/4885

“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.