SCHEMBL2642831

SCHEMBL2642831

NCCc1cccc([O])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 10/20 0.57
▸ DRD2 P14416 3/20 0.57
▸ DRD1 P21728 3/20 0.57
▸ HTR2A P28223 2/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.52
▸ HTR6 P50406 4/20 0.52
▸ HTR2C P28335 1/20 0.50
▸ NOS1 P29475 1/20 0.47
▸ HTR7 P34969 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD5 P21918 2/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ DRD3 P35462 2/20 0.43

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
Phenethylamine SCHEMBL27772526 0.83 TAAR1 (0.55) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL659100 0.83 TAAR1 (0.70) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL19640340 0.82 TAAR1 (0.42) TAAR1DRD2DRD1LOXL2HTR6
SCHEMBL2642924 0.81 — —
Hydrochloric Acid SCHEMBL3957562 0.80 TAAR1 (0.67) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL5539551 0.79 MAOA (0.56) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL1805140 0.77 CNR1 (0.42) TAAR1DRD2DRD1DRD4DRD5
SCHEMBL3031250 0.77 TAAR1 (0.38) TAAR1DRD2DRD1CYP19A1
SCHEMBL2642541 0.77 TDP1 (0.52) TAAR1DRD2DRD1KDM4EMAPT
SCHEMBL8790729 0.77 MGLL (0.40) TAAR1DRD2SLC6A3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 — — US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 — — US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 — — US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — EP 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TAAR1 4223/4885DRD2 2087/4885DRD1 1751/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TAAR1 4214/4885DRD2 2058/4885DRD1 1702/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TAAR1 4223/4885DRD2 2087/4885DRD1 1751/4885

“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.

Send feedback