SCHEMBL2640170

SCHEMBL2640170

CC(C(=O)NCCC1COc2ccc(C(=N)N)cc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
F7 P08709 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
FFAR1 O14842 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
TBXAS1 P24557 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
TBXA2R P21731 1/20 0.35
KLKB1 P03952 4/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL6214922 0.85 HTR1A (0.38) HTR1AHTR1DHTR2CLMNACNR1
SCHEMBL7420409 0.84 HTR1A (0.53) HTR1AHTR1DHTR2CITGB3ITGA2B
SCHEMBL6212650 0.83 F10 (0.51) HTR1AHTR1DHTR2CLMNAITGB3
SCHEMBL2640158 0.81 F10 (0.52) HTR1AHTR1DHTR2CITGB3ITGA2B
SCHEMBL2639545 0.81 HTR1A (0.50) HTR1AHTR1DHTR2CITGB3ITGA2B
SCHEMBL7419924 0.81 HTR1A (0.54) HTR1AHTR1DHTR2CITGB3ITGA2B
SCHEMBL2639993 0.80 HTR1A (0.47) HTR1AHTR1DHTR2CITGB3ITGA2B
SCHEMBL2639996 0.80 HTR1A (0.47) HTR1AHTR1DHTR2CITGB3ITGA2B
SCHEMBL2640119 0.79 HTR1A (0.44) HTR1AHTR1DHTR2CLMNAPPARG
SCHEMBL2639752 0.79 F10 (0.47) HTR1AHTR1DHTR2CITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829451-B2 2011-12-07 JP claimed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US claimed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US claimed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP claimed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO claimed
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 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 (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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 HTR1A 1462/4885HTR1D 2054/4885HTR2C 1530/4885

“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.