SCHEMBL12717314

SCHEMBL12717314

CC(=O)NCCC1=CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ TAAR1 Q96RJ0 1/20 0.61
▸ PKM P14618 1/20 0.59
▸ NPC1 O15118 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ HPGD P15428 3/20 0.58
▸ EPHX1 P07099 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ LMNA P02545 1/20 0.57

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
SCHEMBL7783342 0.86 EPHX1 (0.73) SMN1; SMN2ALDH1A1TAAR1NPC1RAB9A
SCHEMBL8674157 0.83 TAAR1 (0.61) SMN1; SMN2ALDH1A1TAAR1PKMNPC1
SCHEMBL14521487 0.82 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1TAAR1MAPTNPSR1
SCHEMBL23374499 0.80 TAAR1 (0.74) SMN1; SMN2ALDH1A1TAAR1PKMNPC1
SCHEMBL28226345 0.79 HPGD (0.72) ALDH1A1TAAR1NPC1RAB9AHPGD
SCHEMBL26205507 0.79 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1TAAR1PKMNPC1
SCHEMBL15695713 0.77 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL9392506 0.77 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1TAAR1PKMNPC1
SCHEMBL9392496 0.77 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1TAAR1PKMNPC1
SCHEMBL2220979 0.77 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TAAR1PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 — — US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 — — US disclosed
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 — — EP disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 — — US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 — — US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 — — US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 — — US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 — — US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 — — US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 — — US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 — — US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — 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 (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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 SMN1; SMN2 3249/4885ALDH1A1 2271/4885TAAR1 3497/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 SMN1; SMN2 2049/4885ALDH1A1 1079/4885TAAR1 1964/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 SMN1; SMN2 3485/4885ALDH1A1 1421/4885TAAR1 3183/4885

“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.

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