SCHEMBL4864576

SCHEMBL4864576

CN(C)CCOc1cccc2[nH]ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.60
HTR1B P28222 5/20 0.59
MEN1 O00255 2/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
DRD2 P14416 1/20 0.53
HTR7 P34969 3/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL10736779 0.85 HTR1B (0.49) HTR1AHTR1BMEN1MAPK1KMT2A
SCHEMBL10735471 0.85 DRD2 (0.50) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL10736784 0.85 HTR1B (0.49) HTR1AHTR1BMEN1MAPK1KMT2A
SCHEMBL10567823 0.83 HTR1A (0.50) HTR1AHTR1BDRD4DRD2HTR2C
SCHEMBL3799623 0.82 HTR1B (0.64) HTR1AHTR1BMEN1MAPK1KMT2A
SCHEMBL3798923 0.81 HTR1B (0.62) HTR1AHTR1BMEN1MAPK1KMT2A
SCHEMBL2986267 0.80 RET (0.45) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL3555909 0.79 HTR1B (0.55) HTR1AHTR1BMEN1KMT2ADRD4
SCHEMBL1545429 0.79 HTR1B (0.60) HTR1AHTR1BMEN1MAPK1KMT2A
SCHEMBL4073823 0.79 HTR1B (0.60) HTR1AHTR1BMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650664-B2 Use of photocleavable compounds FEMTONICS KFT (HU) 2017-05-16 US disclosed
US-20140234883-A1 USE OF PHOTOCLEAVABLE COMPOUNDS FEMTONICS KFT (HU) 2014-08-21 US disclosed
US-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
EP-1513809-A1 1-SULFONYL-4-AMINOALKOXY INDOLE DERIVATIVES AS 5-HT6-RECEPTOR MODULATORS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-16 EP disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 WO disclosed
US-6774241-B2 HT3 RECEPTOR ANTAGONISTS FOR NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, AND SLEEP DISORDER TREATMENT ROCHE PALO ALTO LLC 2004-08-10 US disclosed
WO-2003104193-A1 1-SULFONYL-4-AMINOALKOXY INDOLE DERIVATIVES AS 5-HT6-RECEPTOR MODULATORS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-18 WO disclosed
US-20030229069-A1 1-Sulfonyl-4-aminoalkoxy indole derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-11 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 (4 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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 HTR1A 2805/4885HTR1B 3303/4885MEN1 3063/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 HTR1A 2805/4885HTR1B 3303/4885MEN1 3063/4885
US-20030229069-A1 1-Sulfonyl-4-aminoalkoxy indole derivatives and uses thereof IDO1, TPH1, SLC6A4 HTR1A 13/4885HTR1B 11/4885MEN1 1398/4885
US-20140234883-A1 USE OF PHOTOCLEAVABLE COMPOUNDS ERCC1, ERCC4, ERCC5 HTR1A 3269/4885HTR1B 2879/4885MEN1 782/4885

“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.