Hydrochloric Acid

Hydrochloric Acid

SCHEMBL537209

CCOc1cc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)CN(C)C)c3C2=O)ccc1OC.[Cl-].[H+]

nearest known ligand 0.79

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 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.79
PDE4C Q08493 19/20 0.79
PDE4A P27815 13/20 0.79
PDE4D Q08499 13/20 0.79
HTR2B P41595 1/20 0.79

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
Hydrochloric Acid SCHEMBL537315 1.00 PDE4B (0.79) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL1582972 1.00 PDE4B (0.79) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL845079 0.98 PDE4B (0.81) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL540336 0.98 PDE4B (0.81) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3767503 0.98 PDE4B (0.81) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL537316 0.98 PDE4B (0.80) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL537210 0.98 PDE4B (0.80) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL537053 0.98 PDE4B (0.80) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL537236 0.95 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1582625 0.93 PDE4B (0.71) PDE4BPDE4CPDE4APDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698334-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2006-09-06 EP claimed
US-RE45685-E1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2015-09-29 US disclosed
EP-2255801-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
EP-2263669-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
US-8030343-B2 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2011-10-04 US disclosed
EP-1698334-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2011-04-20 EP disclosed
EP-2263669-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-22 EP disclosed
EP-2255801-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-01 EP disclosed
US-7678825-B2 Pharmaceutically active isoindoline derivates CELGENE CORPORATION (US) 2010-03-16 US disclosed
US-20080221196-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION 2008-09-11 US disclosed
EP-1228071-B1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2007-03-28 EP disclosed
EP-1698334-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2006-09-06 EP disclosed
US-20040147588-A1 Pharmaceutically active isoindoline derivatives MAN HON-WAH 2004-07-29 US disclosed
US-6667316-B1 Amido or imido functionality; tumor necrosis factor alpha, phosphodiesterases, matrix metalloproteases and angiogenesis inhibitors CELGENE CORPORATION 2003-12-23 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 (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-20080221196-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES PDE3A, PDE2A, PDE5A PDE4B 10/4885PDE4C 8/4885PDE4A 6/4885
US-20040147588-A1 Pharmaceutically active isoindoline derivatives PDE3A, PDE5A, PDE2A PDE4B 14/4885PDE4C 10/4885PDE4A 6/4885

“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.