SCHEMBL20656972

SCHEMBL20656972

N[C@@H]1C[C@H]1c1ccc2c(c1)CCCO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
KDM1A O60341 15/20 0.39
KCNH2 Q12809 4/20 0.39
KDM1B Q8NB78 3/20 0.39
NOTUM Q6P988 1/20 0.39
MAOB P27338 3/20 0.38
RCOR1 Q9UKL0 2/20 0.38
MAOA P21397 1/20 0.36

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
SCHEMBL20656971 1.00 PRKCI (0.41) PRKCICLK1DYRK1ADYRK1BCTNNB1
SCHEMBL12971946 0.90 PRKCI (0.47) PRKCIDYRK1ADYRK1BKDM1AKCNH2
SCHEMBL20656890 0.90 PRKCI (0.47) PRKCIDYRK1ADYRK1BKDM1AKCNH2
SCHEMBL23653045 0.78 DYRK1A (0.43) PRKCICLK1DYRK1ADYRK1BCTNNB1
SCHEMBL12971972 0.75 KDM1A (0.46) KDM1AKCNH2KDM1BMAOBRCOR1
SCHEMBL18596474 0.74 KDM1A (0.44) KDM1AKCNH2KDM1BMAOBRCOR1
SCHEMBL17032981 0.73 KDM1A (0.44) PRKCIDYRK1ADYRK1BKDM1AMAOB
SCHEMBL5584643 0.72 QDPR (0.45) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL5584639 0.72 NOTUM (0.40) PRKCICLK1DYRK1ADYRK1BCTNNB1
SCHEMBL266080 0.72 PRKCI (0.49) PRKCICLK1DYRK1ADYRK1BCTNNB1

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 PRKCI 3067/4885CLK1 2530/4885DYRK1A 1900/4885
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SETDB1, KDM1B, SETD7 PRKCI 3067/4885CLK1 2530/4885DYRK1A 1900/4885

“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.