SCHEMBL676997

SCHEMBL676997

O=C(O)[C@@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 15/20 1.00
ALDH1A1 P00352 2/20 1.00
LMNA P02545 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
CYP2C19 P33261 1/20 1.00
HSD17B10 Q99714 1/20 1.00

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
SCHEMBL676998 1.00 SLC6A1 (1.00) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10964540 0.99 ALDH1A1 (1.00) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL9524452 0.93 SLC6A1 (0.87) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL9524447 0.93 SLC6A1 (0.87) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9528572 0.92 ALDH1A1 (0.87) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10965807 0.92 ALDH1A1 (0.87) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9528575 0.92 ALDH1A1 (0.87) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10968322 0.91 ALDH1A1 (0.86) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8820149 0.91 SLC6A1 (0.83) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8820154 0.91 SLC6A1 (0.83) SLC6A1ALDH1A1LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912091-B1 USE OF GABA UPTAKE INHIBITORS AS ANTI-TUSSIVE AGENTS SMITHKLINE BEECHAM CORP (US) 2007-12-19 EP claimed
EP-0912091-A4 USE OF GABA UPTAKE INHIBITORS AS ANTI-TUSSIVE AGENTS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP claimed
EP-1142584-A1 COMPOSITIONS FOR TREATING FREQUENT URINATION AND URINARY INCONTINENCE Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP claimed
US-6121290-A TREATING COUGH BY ADMINISTERING A COMPOUND THAT INHIBITS GABA (GAMMA-AMINO-BUTYRIC ACID) UPTAKE, SUCH AS GUVACINE SMITHKLINE BEECHAM CORPORATION (US) 2000-09-19 US claimed
JP-2000511538-A 2000-09-05 JP claimed
EP-0912091-A1 USE OF GABA UPTAKE INHIBITORS AS ANTI-TUSSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP claimed
WO-1997043902-A1 USE OF GABA UPTAKE INHIBITORS AS ANTI-TUSSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-27 WO claimed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
EP-2382975-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-11-02 EP disclosed
EP-2377530-A2 Modulation of neurogenesis by PDE inhibition Braincells, Inc. (US) 2011-10-19 EP disclosed
EP-2377531-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-10-19 EP disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 US disclosed
EP-0912091-A4 USE OF GABA UPTAKE INHIBITORS AS ANTI-TUSSIVE AGENTS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1142584-A1 COMPOSITIONS FOR TREATING FREQUENT URINATION AND URINARY INCONTINENCE Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6121290-A TREATING COUGH BY ADMINISTERING A COMPOUND THAT INHIBITS GABA (GAMMA-AMINO-BUTYRIC ACID) UPTAKE, SUCH AS GUVACINE SMITHKLINE BEECHAM CORPORATION (US) 2000-09-19 US disclosed
EP-0912091-A1 USE OF GABA UPTAKE INHIBITORS AS ANTI-TUSSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
WO-1997043902-A1 USE OF GABA UPTAKE INHIBITORS AS ANTI-TUSSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-27 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 SLC6A1 2250/4885ALDH1A1 2164/4885LMNA 3625/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF SLC6A1 2093/4885ALDH1A1 1565/4885LMNA 2155/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 SLC6A1 2250/4885ALDH1A1 2164/4885LMNA 3625/4885

“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.