Hydrochloric Acid

Hydrochloric Acid

SCHEMBL814719

Cc1cccc(C)c1NCCN(CCNc1c(C(C)C)cc(C(C)C)cc1C(C)C)Cc1ccccn1.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.40

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 19)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.35
SLC6A2 known ✓ P23975 2/20 0.33
SLC6A3 known ✓ Q01959 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.38
ALDH1A1 P00352 2/20 0.34
SCN8A Q9UQD0 1/20 0.34
SLC6A4 P31645 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3CD O00329 1/20 0.33

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
Bromide SCHEMBL813162 0.99 SMN1; SMN2 (0.39) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
Hydrochloric Acid SCHEMBL814754 0.94 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
Hydrochloric Acid SCHEMBL815434 0.93 SMN1; SMN2 (0.39) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
Hydrochloric Acid SCHEMBL812997 0.93 MAPT (0.41) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
Bromide SCHEMBL813551 0.92 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
Hydrochloric Acid SCHEMBL812633 0.92 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
Bromide SCHEMBL813696 0.92 SMN1; SMN2 (0.39) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
Bromide SCHEMBL813601 0.92 MAPT (0.40) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
Hydrochloric Acid SCHEMBL814317 0.91 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C
SCHEMBL814914 0.91 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLIN28ATDP1PIP4K2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
EP-1641842-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND Exxonmobil Chemical Patents Inc. (US) 2006-04-05 EP disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US disclosed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX ACHE 3557/4885SLC6A2 2736/4885SLC6A3 4426/4885

“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.