SCHEMBL6210723

SCHEMBL6210723

CCCc1ccc(-c2ccc(C(=O)NCCC3COc4ccc(C(=N)N)cc43)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2C P28335 1/20 0.46
F10 P00742 4/20 0.43
KLKB1 P03952 10/20 0.40
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
PLG P00747 1/20 0.38
PROC P04070 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PRSS1 P07477 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2640158 0.88 F10 (0.52) HTR1AHTR1DHTR2CF10KLKB1
SCHEMBL2640150 0.87 HTR1A (0.53) HTR1AHTR1DHTR2CF10KLKB1
SCHEMBL2640127 0.86 HTR1A (0.48) HTR1AHTR1DHTR2CF10KLKB1
SCHEMBL7420409 0.84 HTR1A (0.53) HTR1AHTR1DHTR2CF10KLKB1
SCHEMBL2638974 0.84 HTR1A (0.47) HTR1AHTR1DHTR2CF10KLKB1
SCHEMBL6217888 0.84 CD274 (0.37) HTR1AHTR1DHTR2CKLKB1MAPT
SCHEMBL6212650 0.84 F10 (0.51) HTR1AHTR1DHTR2CF10KLKB1
SCHEMBL2640085 0.83 HTR1A (0.47) HTR1AHTR1DHTR2CF10KLKB1
SCHEMBL2640100 0.83 HTR1A (0.45) HTR1AHTR1DHTR2CF10KLKB1
SCHEMBL2639307 0.83 HTR1A (0.45) HTR1AHTR1DHTR2CF10KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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.