SCHEMBL193434

SCHEMBL193434

N[C@@H]1CCc2c(Cl)cccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.45
ACHE P22303 2/20 0.44
KDM1A O60341 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
AADAT Q8N5Z0 1/20 0.40
IDO1 P14902 1/20 0.39
DPP4 P27487 1/20 0.38
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL31250078 1.00 HTR2C (0.45) HTR2CACHEKDM1ATRPM8SLC6A2
SCHEMBL193872 1.00 HTR2C (0.45) HTR2CACHEKDM1ATRPM8SLC6A2
SCHEMBL30229855 1.00 HTR2C (0.45) HTR2CACHEKDM1ATRPM8SLC6A2
SCHEMBL193435 1.00 HTR2C (0.45) HTR2CACHEKDM1ATRPM8SLC6A2
Hydrochloric Acid SCHEMBL11574629 0.98 ACHE (0.47) HTR2CACHEKDM1ATRPM8SLC6A2
Hydrochloric Acid SCHEMBL31186922 0.98 ACHE (0.47) HTR2CACHEKDM1ATRPM8SLC6A2
SCHEMBL1151017 0.89 HTR2C (0.42) HTR2CACHEKDM1ATRPM8SLC6A2
SCHEMBL29325494 0.87 HTR2C (0.41) HTR2CACHEKDM1ATRPM8SLC6A2
SCHEMBL18647394 0.84 ACHE (0.40) ACHEKDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL11578773 0.80 ACHE (0.38) HTR2CACHESLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
EP-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 EP disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
EP-1989206-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 EP disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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 (7 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HTR2C 4747/4885ACHE 30/4885KDM1A 513/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HTR2C 4747/4885ACHE 30/4885KDM1A 513/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HTR2C 4747/4885ACHE 30/4885KDM1A 513/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 HTR2C 4747/4885ACHE 30/4885KDM1A 513/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HTR2C 4747/4885ACHE 30/4885KDM1A 513/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 HTR2C 4799/4885ACHE 13/4885KDM1A 324/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 HTR2C 4747/4885ACHE 30/4885KDM1A 513/4885

“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.