SCHEMBL20656989

SCHEMBL20656989

N[C@@H]1C[C@H]1c1ccc2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.44
▸ NR4A2 P43354 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ F7 P08709 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ RAD51 Q06609 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM1A O60341 11/20 0.43
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 1/20 0.43
▸ KCNH2 Q12809 4/20 0.42
▸ KDM1B Q8NB78 3/20 0.42
▸ F2 P00734 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 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
SCHEMBL12971960 1.00 AHR (0.44) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL2137011 0.76 FFAR1 (0.44) AHRNR4A2CYP2A6LTA4HUSP2
SCHEMBL18000304 0.76 AHR (0.48) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL6625654 0.73 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3
SCHEMBL8995188 0.73 AHR (0.46) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL529967 0.71 KDM1A (0.73) KDM1AMAOB
SCHEMBL527079 0.71 KDM1A (0.73) KDM1AMAOB
SCHEMBL528989 0.71 KDM1A (0.73) KDM1AMAOB
SCHEMBL3307955 0.71 NPC1 (0.47) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL3956097 0.70 SLC6A2 (0.50) AHRNR4A2CYP2A6F7LTA4H

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 AHR 155/4885NR4A2 3030/4885CYP2A6 559/4885
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SETDB1, KDM1B, SETD7 AHR 155/4885NR4A2 3030/4885CYP2A6 559/4885

“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.

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