SCHEMBL6215500

SCHEMBL6215500

N=C(N)c1ccc2c(c1)C(CCNC(=O)c1ccccc1-c1ccc[nH]1)CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
TBXA2R P21731 3/20 0.35
CHRM1 P11229 1/20 0.35
F10 P00742 6/20 0.35
F7 P08709 5/20 0.35
F11 P03951 4/20 0.35
F2 P00734 3/20 0.34
F3 P13726 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
KLKB1 P03952 4/20 0.33
LMNA P02545 1/20 0.33
PRSS1 P07477 2/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLK1 P06870 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2639560 0.81 HTR1A (0.45) HTR1AHTR1DHTR2CTBXA2RF2
SCHEMBL7420409 0.81 HTR1A (0.53) HTR1AHTR1DHTR2CTBXA2RF10
SCHEMBL2639963 0.81 HTR1A (0.44) HTR1AHTR1DHTR2CTBXA2RF10
SCHEMBL6219279 0.80 HTR1A (0.46) HTR1AHTR1DHTR2CTBXA2RLMNA
SCHEMBL6215506 0.80 HTR1A (0.45) HTR1AHTR1DHTR2CTBXA2RITGB3
SCHEMBL2640236 0.79 HTR1A (0.44) HTR1AHTR1DHTR2CTBXA2RF10
SCHEMBL2640158 0.79 F10 (0.52) HTR1AHTR1DHTR2CTBXA2RF10
SCHEMBL2639959 0.77 HTR1A (0.45) HTR1AHTR1DHTR2CTBXA2RF10
SCHEMBL2639752 0.77 F10 (0.47) HTR1AHTR1DHTR2CF10F2
SCHEMBL6215394 0.76 ITGB3 (0.47) HTR1AHTR1DHTR2CF10ITGB3

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.