SCHEMBL20656990

SCHEMBL20656990

N[C@@H]1C[C@H]1c1ccc(-c2ccccc2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.71
MAOB P27338 11/20 0.71
MAOA P21397 10/20 0.71
CYP2C19 P33261 5/20 0.45
CYP2B6 P20813 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2A6 P11509 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL20656988 1.00 KDM1A (0.71) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL529235 0.84 KDM1A (1.00) KDM1AMAOBMAOACYP2C19CYP2D6
SCHEMBL7691898 0.84 KDM1A (1.00) KDM1AMAOBMAOACYP2C19CYP2D6
SCHEMBL528006 0.84 KDM1A (1.00) KDM1AMAOBMAOACYP2C19CYP2D6
SCHEMBL15136633 0.84 KDM1A (1.00) KDM1AMAOBMAOACYP2C19CYP2D6
SCHEMBL528005 0.84 KDM1A (1.00) KDM1AMAOBMAOACYP2C19CYP2D6
Hydrochloric Acid SCHEMBL529703 0.82 KDM1A (0.97) KDM1AMAOBMAOACYP2C19CYP2D6
Hydrochloric Acid SCHEMBL15136828 0.82 KDM1A (0.97) KDM1AMAOBMAOACYP2C19CYP2D6
Hydrochloric Acid SCHEMBL15136830 0.82 KDM1A (0.97) KDM1AMAOBMAOACYP2C19CYP2D6
Hydrochloric Acid SCHEMBL529702 0.82 KDM1A (0.97) KDM1AMAOBMAOACYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779096-B Fluorine-substituted cyclopropylamine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-07-01 CN disclosed
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-17 US disclosed
US-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-04 US disclosed
EP-3431471-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USERS THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-01-23 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 (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-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SETDB1, KDM1B, SETD7 KDM1A 4/4885MAOB 323/4885MAOA 351/4885
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SETDB1, KDM1B, SETD7 KDM1A 4/4885MAOB 323/4885MAOA 351/4885

“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.