SCHEMBL2255291

SCHEMBL2255291

O=C(Cl)c1ccc(O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.47
ALDH1A1 P00352 4/20 0.42
P4HTM Q9NXG6 3/20 0.40
P4HA1 P13674 2/20 0.40
MIF P14174 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38

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
SCHEMBL185991 0.79 P4HA1 (0.64) NAPRTALDH1A1P4HTMP4HA1MIF
SCHEMBL29760376 0.79 NAPRT (0.72) NAPRTSMN1; SMN2DGAT1GAARAB9A
SCHEMBL29524968 0.79 P4HA1 (0.64) NAPRTALDH1A1P4HTMP4HA1MIF
SCHEMBL30336313 0.79 P4HTM (0.64) NAPRTALDH1A1P4HTMP4HA1MIF
SCHEMBL17801 0.79 NAPRT (0.72) NAPRTSMN1; SMN2DGAT1GAARAB9A
SCHEMBL3196986 0.79 P4HTM (0.64) NAPRTALDH1A1P4HTMP4HA1MIF
Hydrochloric Acid SCHEMBL2928501 0.77 NAPRT (0.69) NAPRTSMN1; SMN2DGAT1GAARAB9A
SCHEMBL7336046 0.77 P4HTM (0.54) NAPRTALDH1A1P4HTMP4HA1MIF
SCHEMBL24400225 0.77 NAPRT (0.42) NAPRTALDH1A1P4HTMP4HA1MIF
SCHEMBL1092282 0.77 KCNJ1 (0.47) P4HTMP4HA1MIFSMN1; SMN2GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022974-A Process for the production of 2-chloro-5-chloromethyl-pyridine LONZA LTD. (CH) 2000-02-08 US claimed
EP-0569947-B1 Process for the production of 2-chloro-5-chloromethyl-pyridine LONZA AG (CH) 1995-03-01 EP claimed
JP-6032779-A None JP disclosed
US-7994163-B2 e.g. 3-tert-Butoxycarbonyl-7-chloro-6-chloromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; serotonin receptor agonist; antidepressant, anxiolytic agent; obesity, obsessive compulsive disorder ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
US-7994163-B2 e.g. 3-tert-Butoxycarbonyl-7-chloro-6-chloromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; serotonin receptor agonist; antidepressant, anxiolytic agent; obesity, obsessive compulsive disorder ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
US-7994163-B2 e.g. 3-tert-Butoxycarbonyl-7-chloro-6-chloromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; serotonin receptor agonist; antidepressant, anxiolytic agent; obesity, obsessive compulsive disorder ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
EP-1924560-B1 6-SUBSTITUTED- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-08-05 EP disclosed
EP-1924560-B1 6-SUBSTITUTED- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-08-05 EP disclosed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 US disclosed
WO-2001077078-A1 NOVEL PYRIDONES AND THEIR USE AS MODULATORS OF SERINE HYDROLASE ENZYMES DALHOUSIE UNIVERSITY (CA) 2001-10-18 WO disclosed
US-6022974-A Process for the production of 2-chloro-5-chloromethyl-pyridine LONZA LTD. (CH) 2000-02-08 US disclosed
US-6022974-A Process for the production of 2-chloro-5-chloromethyl-pyridine LONZA LTD. (CH) 2000-02-08 US disclosed
JP-H0632779-A PREPARATION OF 2-CHLORO-5-CHLOROMETHYL-PYRIDINE LONZA AG 1994-02-08 JP disclosed
EP-0569947-A1 Process for the production of 2-chloro-5-chloromethyl-pyridine LONZA AG (CH) 1993-11-18 EP disclosed
US-4265892-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1981-05-05 US disclosed
US-4154831-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed
US-4067979-A Cephalosporins having an α-acyloxyacetic acid side chain CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-4041161-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1977-08-09 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 (1 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-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3C, HTR3A NAPRT 3996/4885ALDH1A1 957/4885P4HTM 2234/4885

“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.