Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2906263

C[N+](C)(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C1CCCCC1.[Cl-]

nearest known ligand 0.57

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
CCR2 P41597 4/20 0.57
NPC1 O15118 11/20 0.57
RAB9A P51151 10/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 7/20 0.55
TP53 P04637 5/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
MMP13 P45452 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK1 P28482 1/20 0.53

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
SCHEMBL313427 0.99 NPC1 (0.58) CCR2NPC1RAB9AKMT2AMEN1
Iodide SCHEMBL5178896 0.98 CCR2 (0.57) CCR2NPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL313312 0.91 CCR2 (0.67) CCR2NPC1RAB9AKMT2AMEN1
Iodide SCHEMBL17555075 0.89 CCR2 (0.67) CCR2NPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL2907331 0.87 CCR2 (0.59) CCR2
SCHEMBL13148354 0.86 CCR2 (0.60) CCR2
Iodide SCHEMBL17555127 0.85 CCR2 (0.59) CCR2
Hydrochloric Acid SCHEMBL2906125 0.79 CCR2 (0.56) CCR2
Hydrochloric Acid SCHEMBL313017 0.79 CCR2 (0.68) CCR2
Hydrochloric Acid SCHEMBL2907679 0.78 CCR2 (0.55) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212286-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP claimed
US-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
WO-2009055519-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885NPC1 600/4885RAB9A 3203/4885
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885NPC1 600/4885RAB9A 3203/4885

“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.