SCHEMBL6006538

SCHEMBL6006538

CC([N]C(C)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA2A P08913 4/20 0.45
ADRA2B P18089 4/20 0.45
ADRA2C P18825 4/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP2A6 P11509 2/20 0.43
SLC6A4 P31645 1/20 0.42
AOC3 Q16853 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL25991088 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL20307886 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL2998678 0.79 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL66681 0.79 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL5523449 0.79 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL3890926 0.79 MIF (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL28406008 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL3886974 0.79 MIF (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29648886 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL547207 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 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 (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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ALDH1A1 228/4885CYP1A2 68/4885CYP2C9 536/4885

“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.