SCHEMBL6476469

SCHEMBL6476469

CCOc1cc(C#N)ccc1CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.54
MELK Q14680 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.40
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRM5 P41594 1/20 0.39
S1PR1 P21453 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
BRCA1 P38398 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
PRNP P04156 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR3C2 P08235 3/20 0.37
NR3C1 P04150 2/20 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
Hydrochloric Acid SCHEMBL6476582 0.98 TRPV4 (0.52) TRPV4MELKLOXL2HTR2AKCNH2
SCHEMBL7361936 0.87 CSNK2A1 (0.42) TRPV4MELKLOXL2HTR2AKCNH2
SCHEMBL1664918 0.84 TRPV4 (0.51) TRPV4HTR2AKCNH2GRM5S1PR1
SCHEMBL14468631 0.83 TRPV4 (0.54) TRPV4HTR2AKCNH2GRM5S1PR1
SCHEMBL5405545 0.83 TRPV4 (0.54) TRPV4HTR2AKCNH2GRM5S1PR1
SCHEMBL3288455 0.83 AR (0.47) MELKLOXL2HTR2AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL5418555 0.83 TRPV4 (0.50) TRPV4HTR2AKCNH2GRM5S1PR1
SCHEMBL5413519 0.81 TRPV4 (0.49) TRPV4HTR2AKCNH2GRM5S1PR1
Hydrochloric Acid SCHEMBL5901267 0.81 AR (0.46) MELKLOXL2HTR2AKCNH2ALDH1A1
SCHEMBL8735777 0.81 TRPV4 (0.51) TRPV4HTR2AKCNH2GRM5S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 TRPV4 4468/4885MELK 4168/4885LOXL2 3222/4885

“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.