SCHEMBL2640158

SCHEMBL2640158

N=C(N)c1ccc2c(c1)C(CCNC(=O)c1ccc(-c3ccccc3)cc1)CO2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.52
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2C P28335 1/20 0.50
KLKB1 P03952 1/20 0.47
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
PRSS1 P07477 2/20 0.44
PLG P00747 1/20 0.43
PROC P04070 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TBXA2R P21731 1/20 0.43
HPGD P15428 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
TPSAB1 Q15661 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7420409 0.95 HTR1A (0.53) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL2640127 0.90 HTR1A (0.48) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL2640217 0.90 F10 (0.56) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL2639752 0.89 F10 (0.47) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL2639933 0.88 CYP1A2 (0.47) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL2638974 0.88 HTR1A (0.47) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL6210723 0.88 HTR1A (0.46) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL2640100 0.87 HTR1A (0.45) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL2639307 0.87 HTR1A (0.45) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL6213045 0.86 F10 (0.47) F10HTR1AHTR1DHTR2CKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829451-B2 2011-12-07 JP claimed
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP 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 F10 4/4885HTR1A 1462/4885HTR1D 2054/4885

“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.