SCHEMBL8245648

SCHEMBL8245648

O=C[C@@H](CO)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
ACP3 P15309 3/20 0.45
SIGMAR1 Q99720 1/20 0.43
THRB P10828 1/20 0.42
IDO1 P14902 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACE P12821 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
CAPN1 P07384 2/20 0.40
ANPEP P15144 1/20 0.40
ADRB2 P07550 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL16372685 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH7ACP3
SCHEMBL21538597 0.86 ADH1B (0.44) ADH1BADH1CADH1AADH7ACP3
SCHEMBL24288430 0.83 SIGMAR1 (0.53) ADH1BADH1CADH1AADH7ACP3
SCHEMBL5028604 0.83 SIGMAR1 (0.53) ADH1BADH1CADH1AADH7ACP3
SCHEMBL11096307 0.82 CASP1 (0.47) ADH1BADH1CADH1AADH7ACP3
SCHEMBL29255909 0.81 SIGMAR1 (0.47) ADH1BADH1CADH1AADH7ACP3
SCHEMBL11099624 0.81 SIGMAR1 (0.43) ADH1BADH1CADH1AADH7ACP3
Hydrochloric Acid SCHEMBL11097355 0.81 CASP1 (0.46) ADH1BADH1CADH1AADH7ACP3
SCHEMBL13054602 0.80 L3MBTL1 (0.54) SMN1; SMN2ANPEPALDH1A1LMNACYP2D6
SCHEMBL13054613 0.80 L3MBTL1 (0.54) SMN1; SMN2ANPEPALDH1A1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097618-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2012-01-17 US disclosed
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2011-08-04 US disclosed
EP-2336136-A1 Pyridine derivatives and their use in the treatment of psychotic disorders GlaxoSmithKline LLC (US) 2011-06-22 EP disclosed
US-7919491-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders GLAXOSMITHKLINE LLC (US) 2010-06-17 US disclosed
US-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders NDUFB7, NDUFB6, GABRE ADH1B 133/4885ADH1C 786/4885ADH1A 212/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 ADH1B 95/4885ADH1C 249/4885ADH1A 98/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 ADH1B 525/4885ADH1C 250/4885ADH1A 469/4885

“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.