SCHEMBL944969

SCHEMBL944969

CCOC(=O)CCc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
ALDH1A1 P00352 4/20 0.75
HSD17B10 Q99714 3/20 0.75
KDM4E B2RXH2 4/20 0.70
LMNA P02545 2/20 0.70
CHRM1 P11229 1/20 0.65
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
DDAH1 O94760 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL5395748 0.91 MAPT (0.83) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL14578158 0.90 MAPT (0.81) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL20561440 0.86 MAPT (0.75) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL1218749 0.86 HSD17B10 (1.00) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL31529600 0.86 HSD17B10 (1.00) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL27887747 0.85 MAPT (0.74) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL28352297 0.84 MAPT (0.72) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL14925453 0.84 MAPT (0.72) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL5793053 0.83 MAPT (0.70) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL3533289 0.83 KDM4E (1.00) MAPTALDH1A1HSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-4305945-A Isoureas and isothioureas SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-15 US disclosed
EP-0003677-B1 PYRIMIDONES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-11 EP disclosed
US-4234588-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-11-18 US disclosed
EP-0015138-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-03 EP disclosed
US-4216318-A HISTAMINE HZ-ANTAGONISTS, ISOCYTOSINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-05 US disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 WO disclosed
EP-0007232-A1 Iso(thio)ureas, processes for their preparation and compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-01-23 EP disclosed
EP-0003677-A2 Pyrimidones, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-08-22 EP disclosed
US-4154834-A HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 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-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A MAPT 380/4885ALDH1A1 2928/4885HSD17B10 1380/4885

“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.