SCHEMBL8518648

SCHEMBL8518648

NN(c1ccccc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3485394 0.91 KDM4E (0.43) ALDH1A1CYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL5971405 0.89 KDM4E (0.46) ALDH1A1KDM4ECYP3A4L3MBTL1MEN1
SCHEMBL18639248 0.89 KDM4E (0.46) ALDH1A1KDM4ECYP3A4L3MBTL1MEN1
Hydrochloric Acid SCHEMBL9391758 0.87 KDM4E (0.45) ALDH1A1KDM4ECYP3A4L3MBTL1MEN1
Hydrochloric Acid SCHEMBL7818342 0.87 KDM4E (0.45) ALDH1A1KDM4ECYP3A4L3MBTL1MEN1
SCHEMBL22634123 0.85 SLC18A3 (0.45) CYP2D6MEN1KMT2ALMNA
SCHEMBL8534401 0.82 CHRM1 (0.49) KDM4ECYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL10928632 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7472203 0.78 HRH4 (0.40) TAAR1ALDH1A1KDM4ECYP3A4TDP1
SCHEMBL15597885 0.76 KDM1A (0.35) MAOAMAOBKDM1A

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
JP-11158150-A None JP disclosed
US-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2023-01-31 US disclosed
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY 2021-01-14 US disclosed
CN-106458856-A Inhibitors of histone lysine specific demethylase (lsd1) and histone deacetylases (hdacs) 约翰霍普金斯大学 2017-02-22 CN disclosed
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-02 US disclosed
EP-3114109-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) The Johns Hopkins University (US) 2017-01-11 EP disclosed
WO-2015134973-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2015-09-11 WO disclosed
JP-H11158150-A 5-AMINO-1-CYCLOPROPYL-4-OXOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE AND ITS PREPARATION IHARA CHEM IND CO LTD 1999-06-15 JP 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 (3 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-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) KDM1B, KDM2A, EHMT2 TAAR1 1135/4885ALDH1A1 1450/4885CYP2C19 1791/4885
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 TAAR1 1135/4885ALDH1A1 1450/4885CYP2C19 1791/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 TAAR1 1135/4885ALDH1A1 1450/4885CYP2C19 1791/4885

“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.