SCHEMBL2628024

SCHEMBL2628024

NCC(CCO)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.57
GABBR1 Q9UBS5 3/20 0.57
TAAR1 Q96RJ0 4/20 0.50
HTR2A P28223 3/20 0.50
HRH1 P35367 2/20 0.46
TRPA1 O75762 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 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
Hydrochloric Acid SCHEMBL8987270 0.98 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL27970111 0.88 GABBR2 (0.53) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL1308070 0.86 TRPA1 (0.52) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL4789777 0.82 GABBR2 (0.61) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL9787802 0.82 GABBR2 (0.61) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL1986953 0.82 GABBR2 (0.61) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL8274952 0.82 TRPA1 (0.48) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL1546696 0.82 TRPA1 (0.48) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL9137323 0.82 HRH1 (0.62) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL1507699 0.82 TRPA1 (0.48) GABBR2GABBR1TAAR1HTR2AHRH1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725780-A1 STABILIZATION OF CYCLIC ACETALS HOECHST CELANESE CORPORATION (US) 1996-08-14 EP claimed
EP-0725780-A4 STABILIZATION OF CYCLIC ACETALS HOECHST CELANESE CORP (US) 1996-06-12 EP claimed
WO-1995011892-A1 STABILIZATION OF CYCLIC ACETALS HOECHST CELANESE CORPORATION (US) 1995-05-04 WO claimed
EP-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
EP-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
US-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 EP disclosed
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-04-30 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 WO disclosed
EP-0725780-A1 STABILIZATION OF CYCLIC ACETALS HOECHST CELANESE CORPORATION (US) 1996-08-14 EP disclosed
EP-0725780-A4 STABILIZATION OF CYCLIC ACETALS HOECHST CELANESE CORP (US) 1996-06-12 EP disclosed
WO-1995011892-A1 STABILIZATION OF CYCLIC ACETALS HOECHST CELANESE CORPORATION (US) 1995-05-04 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 (5 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-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels TRPV1, SCN1A, SCN7A GABBR2 2167/4885GABBR1 1814/4885TAAR1 160/4885
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A GABBR2 3937/4885GABBR1 3990/4885TAAR1 1982/4885
US-20070270487-A1 Novel process and intermediates 085 CYP3A5, AGPAT5, CYP4F8 GABBR2 1606/4885GABBR1 1299/4885TAAR1 2953/4885
US-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 GABBR2 1126/4885GABBR1 1118/4885TAAR1 504/4885
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN1A, SCN7A GABBR2 2167/4885GABBR1 1814/4885TAAR1 160/4885

“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.