Hydrochloric Acid

Hydrochloric Acid

SCHEMBL813874

Cc1cccc(C)c1NC(C)CN(Cc1ccccn1)CC(C)Nc1c(C)cccc1C.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.48

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 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.40
SLC6A3 known ✓ Q01959 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SCN8A Q9UQD0 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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 SCHEMBL820668 0.99 MAPT (0.46) SMN1; SMN2MAPTLIN28ATDP1SCN8A
Hydrochloric Acid SCHEMBL813125 0.90 MAPT (0.45) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Bromide SCHEMBL813689 0.88 MAPT (0.44) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL813563 0.87 MAPT (0.45) SMN1; SMN2MAPTLIN28ATDP1SCN8A
Bromide SCHEMBL812947 0.86 MAPT (0.44) SMN1; SMN2MAPTLIN28ATDP1SCN8A
Hydrochloric Acid SCHEMBL813785 0.86 MAPT (0.44) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Bromide SCHEMBL815490 0.85 MAPT (0.43) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL812442 0.84 MAPT (0.42) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Bromide SCHEMBL812904 0.83 MAPT (0.41) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL812647 0.81 SMN1; SMN2 (0.42) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1

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-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
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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 (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 SLC6A2 2736/4885SLC6A3 4426/4885SMN1; SMN2 1110/4885

“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.