Hydrochloric Acid

Hydrochloric Acid

SCHEMBL13736180

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CCCCCCCN=[N+]=[N-])CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1.[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 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 known ✓ P11229 3/20 0.46
▸ SLC6A2 known ✓ P23975 1/20 0.39
▸ SLC6A3 known ✓ Q01959 1/20 0.39
▸ TGM2 P21980 1/20 0.57
▸ NPY4R P50391 3/20 0.51
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ FPR2 P25090 4/20 0.46
▸ AVPR2 P30518 3/20 0.42
▸ TLR7 Q9NYK1 1/20 0.40
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL13895487 0.99 TGM2 (0.57) TGM2NPY4RMEN1USP2POLB
SCHEMBL18732968 0.90 TGM2 (0.61) TGM2NPY4RMEN1USP2POLB
SCHEMBL13103120 0.89 TGM2 (0.61) TGM2NPY4RMEN1USP2POLB
SCHEMBL17126766 0.88 TGM2 (0.60) TGM2NPY4RMEN1USP2POLB
SCHEMBL3504540 0.87 TGM2 (0.60) TGM2NPY4RMEN1USP2POLB
SCHEMBL12870952 0.87 TGM2 (0.60) TGM2NPY4RMEN1USP2POLB
SCHEMBL22963159 0.86 TGM2 (0.53) TGM2NPY4RMEN1USP2POLB
SCHEMBL18087519 0.86 TGM2 (0.62) TGM2NPY4RMEN1USP2POLB
SCHEMBL13114579 0.84 TGM2 (0.58) TGM2NPY4RMEN1USP2POLB
SCHEMBL13569595 0.84 MEN1 (0.49) TGM2NPY4RMEN1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017527-B2 KLK4 inhibitors UNIVERSITEIT ANTWERPEN (BE) 2018-07-10 — — US disclosed
US-20170101427-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2017-04-13 — — US disclosed
EP-3122758-A1 NOVEL KLK4 INHIBITORS Universiteit Antwerpen (BE) 2017-02-01 — — EP disclosed
WO-2015144933-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2015-10-01 — — WO disclosed
US-20140079632-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR UNIVERSITEIT ANTWERPEN (BE) 2014-03-20 — — US disclosed
EP-2707034-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR Universiteit Antwerpen (BE) 2014-03-19 — — EP disclosed
WO-2012152807-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR UNIVERSITEIT ANTWERPEN (BE) 2012-11-15 — — 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 (3 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-10017527-B2 KLK4 inhibitors KLK4, KLK3, KLK1 CHRM1 1172/4885SLC6A2 2316/4885SLC6A3 2684/4885
US-20140079632-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR PLAU, SERPINE1, PRSS3 CHRM1 4830/4885SLC6A2 4319/4885SLC6A3 3849/4885
US-20170101427-A1 NOVEL KLK4 INHIBITORS KLK4, KLK3, KLK1 CHRM1 1155/4885SLC6A2 2837/4885SLC6A3 2814/4885

“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.

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