Hydrochloric Acid

Hydrochloric Acid

SCHEMBL678425

COc1ccc(CCN(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC.[Cl-].[H+]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.44
KCNH2 Q12809 3/20 0.96
KMT2A Q03164 3/20 0.48
BLM P54132 2/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
SMPD1 P17405 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CDC25C P30307 2/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL30357973 0.98 KCNH2 (1.00) KCNH2KMT2ABLMMEN1THRB
Hydrochloric Acid SCHEMBL7333187 0.97 KCNH2 (0.98) KCNH2KMT2ABLMMEN1THRB
SCHEMBL7334434 0.94 KCNH2 (0.91) KCNH2KMT2ABLMMEN1THRB
SCHEMBL7332923 0.92 KCNH2 (0.88) KCNH2KMT2ABLMMEN1THRB
SCHEMBL7333280 0.92 KCNH2 (0.87) KCNH2KMT2ABLMMEN1THRB
SCHEMBL7424127 0.91 KCNH2 (0.87) KCNH2KMT2ABLMMEN1THRB
Hydrochloric Acid SCHEMBL7334750 0.91 KCNH2 (0.86) KCNH2KMT2ABLMMEN1THRB
SCHEMBL7320403 0.91 KCNH2 (0.86) KCNH2KMT2ABLMMEN1THRB
Hydrochloric Acid SCHEMBL8634295 0.91 KCNH2 (0.85) KCNH2KMT2ABLMMEN1THRB
SCHEMBL7330461 0.91 KCNH2 (0.86) KCNH2KMT2ABLMMEN1THRB

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
EP-2382975-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-11-02 EP disclosed
EP-2377530-A2 Modulation of neurogenesis by PDE inhibition Braincells, Inc. (US) 2011-10-19 EP disclosed
EP-2377531-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-10-19 EP disclosed
US-7998971-B2 2-(2-oxopyrrolidin- 1 -yl)-N-(2,3 -dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)acetoamide (MKC-231) and a second active ingredient for treating central or peripheral nervous system disorders increase neurogenesis; synergistic; drug addiction, psychological disorders, transplant rejection BRAINCELLS INC. (US) 2011-08-16 US disclosed
US-7985756-B2 Modulation of neurogenesis by PDE inhibition BRAINCELLS INC. (US) 2011-07-26 US disclosed
WO-2011063115-A1 COMBINATION OF NOOTROPIC AGENT WITH ONE OR MORE NEUROGENIC OR NEUROGENIC SENSITIZING AGENTS FOR STIMULATING OR INCREASING NEUROGENESIS BRAINCELLS INC. (US) 2011-05-26 WO disclosed
EP-2314289-A1 Gaba receptor mediated modulation of neurogenesis Braincells, Inc. (US) 2011-04-27 EP disclosed
WO-2007104035-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC. (US) 2007-09-13 WO disclosed
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-09-06 US disclosed
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-17 US disclosed
WO-2007053596-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-10 WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 WO disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
WO-2007030697-A2 MODULATION OF NEUROGENESIS BY HDAC INHIBITION BRAINCELLS, INC. (US) 2007-03-15 WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 US disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 WO disclosed
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 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 (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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 ACHE 18/4885KCNH2 2922/4885KMT2A 1331/4885
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 ACHE 548/4885KCNH2 3559/4885KMT2A 2546/4885
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 ACHE 442/4885KCNH2 11/4885KMT2A 1064/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 ACHE 712/4885KCNH2 4550/4885KMT2A 257/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX ACHE 47/4885KCNH2 4100/4885KMT2A 2037/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACHE 43/4885KCNH2 2626/4885KMT2A 1893/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 ACHE 18/4885KCNH2 2922/4885KMT2A 1331/4885

“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.