SCHEMBL10077424

SCHEMBL10077424

CCC(C)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.49
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
KCNJ1 P48048 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL18538130 0.98 HRH3 (0.57) HRH3ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL18538137 0.98 HRH3 (0.57) HRH3ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL24170702 0.88 HRH3 (0.56) HRH3ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL12646166 0.85 HRH3 (0.61) HRH3ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL23746339 0.85 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL4547887 0.85 HRH3 (0.65) HRH3ALDH1A1SMN1; SMN2HTTNOS3
SCHEMBL10178474 0.85 HRH3 (0.59) HRH3ALDH1A1MEN1KMT2A
SCHEMBL19441582 0.83 HRH3 (0.62) HRH3ALDH1A1SMN1; SMN2HTTNOS3
SCHEMBL10178419 0.83 HRH3 (0.62) HRH3ALDH1A1MEN1KMT2A
SCHEMBL19441606 0.83 HRH3 (0.62) HRH3ALDH1A1SMN1; SMN2HTTNOS3

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
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-8361700-B2 Lithographic printing plate precursor and method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2013-01-29 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20080241740-A1 Support with photosensitive layer; reduce contact angle of water drops FUJIFILM CORPORATION (JP) 2008-10-02 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS HRH3 489/4885ALDH1A1 1642/4885SMN1; SMN2 3696/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HRH3 393/4885ALDH1A1 2375/4885SMN1; SMN2 1522/4885
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH3 3227/4885ALDH1A1 1335/4885SMN1; SMN2 2153/4885

“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.