SCHEMBL14744166

SCHEMBL14744166

CC1(NC(=O)c2ccccc2)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
HDAC1 Q13547 3/20 0.44
GAA P10253 2/20 0.43
CTSL P07711 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
PPP1CA P62136 1/20 0.42
KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL22031510 0.91 NPC1 (0.39) FAAHHDAC1GAACTSLALDH1A1
SCHEMBL12987195 0.88 FAAH (0.51) FAAHHDAC1GAACTSLALDH1A1
SCHEMBL29120775 0.84 LMNA (0.53) FAAHHDAC1GAACTSLALDH1A1
SCHEMBL10604536 0.84 CTSL (0.49) FAAHHDAC1GAACTSLALDH1A1
SCHEMBL7826986 0.84 DRD2 (0.44) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL10590807 0.83 CTSK (0.54) FAAHHDAC1GAACTSLALDH1A1
SCHEMBL22806731 0.82 PARP1 (0.41) HDAC1GAAKMT2AHSD17B10
SCHEMBL17269945 0.81 HTT (0.47) GAACTSLALDH1A1MEN1HTT
SCHEMBL21198730 0.81 ALDH1A1 (0.51) FAAHHDAC1GAACTSLALDH1A1
Hydrochloric Acid SCHEMBL18428444 0.80 HTT (0.46) GAACTSLALDH1A1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891148-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2020114494-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-11 WO disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 FAAH 1866/4885HDAC1 1677/4885GAA 3271/4885

“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.