SCHEMBL16987307

SCHEMBL16987307

CC(C)NC(=O)c1ccc(Br)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 5/20 0.48
TAS1R3 Q7RTX0 4/20 0.48
TAS1R1 Q7RTX1 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALOX12 P18054 1/20 0.48
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
HPGD P15428 2/20 0.46
MLYCD O95822 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.45
PKM P14618 2/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL4419910 0.84 GRN (0.63) MAPTTAS1R3TAS1R1CYP1A2CYP2C19
SCHEMBL16600514 0.81 CHRNA1 (0.55) MAPTALDH1A1TAS1R3TAS1R1CYP1A2
SCHEMBL26785504 0.80 MAPT (0.53) MAPTALDH1A1TAS1R3TAS1R1CYP1A2
SCHEMBL531992 0.80 SMN1; SMN2 (0.57) MAPTTAS1R3TAS1R1GRNSORT1
SCHEMBL14331842 0.80 MLYCD (0.50) MAPTALDH1A1TAS1R3TAS1R1CYP1A2
SCHEMBL20791763 0.79 TAS1R3 (0.47) ALDH1A1TAS1R3TAS1R1CYP1A2CYP2C19
SCHEMBL22490279 0.78 RAB9A (0.56) MAPTALDH1A1TAS1R3TAS1R1CYP1A2
SCHEMBL27405373 0.78 TAS1R3 (0.55) TAS1R3TAS1R1CYP1A2CYP2C19GRN
Hydrochloric Acid SCHEMBL9639558 0.78 TAS1R3 (0.71) MAPTALDH1A1TAS1R3TAS1R1CYP1A2
SCHEMBL1460210 0.77 ALDH1A1 (0.54) MAPTALDH1A1CYP1A2CYP2C19ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181077-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2020-06-11 US disclosed
US-20170158633-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2017-06-08 US disclosed
US-9527835-B2 Cyclopropylamines as LSD1 inhibitors INCYTE CORPORATION (US) 2016-12-27 US disclosed
WO-2015123437-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2015-08-20 WO disclosed
US-20150225375-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2015-08-13 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 (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-20150225375-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A MAPT 1937/4885ALDH1A1 457/4885TAS1R3 4798/4885
US-20200181077-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A MAPT 1937/4885ALDH1A1 457/4885TAS1R3 4798/4885
US-20170158633-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A MAPT 1937/4885ALDH1A1 457/4885TAS1R3 4798/4885

“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.