SCHEMBL18173166

SCHEMBL18173166

N#CCCN1CCC(CO)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
PKM P14618 1/20 0.58
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 5/20 0.39
GAA P10253 5/20 0.38
TSHR P16473 3/20 0.38
LTA4H P09960 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL22691916 0.82 ALDH1A1 (0.60) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL13850082 0.82 ALDH1A1 (0.60) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL4387600 0.80 ALDH1A1 (0.58) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL240458 0.80 ALDH1A1 (0.58) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL21591054 0.79 ALDH1A1 (0.50) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL3442988 0.79 ALDH1A1 (0.62) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL4375132 0.79 MAOB (0.34) ALDH1A1PKMMAPTLTA4HACHE
SCHEMBL17419164 0.78 POLB (0.50) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL10282362 0.77 ALDH1A1 (0.54) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL1316226 0.76 SLC18A3 (0.47) ALDH1A1PKMSMN1; SMN2LTA4HHTT

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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO 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 (1 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A ALDH1A1 187/4885PKM 377/4885POLB 1605/4885

“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.