SCHEMBL3166116

SCHEMBL3166116

O=C(Cl)C1CCCCN1c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.42
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PORCN Q9H237 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
RECQL P46063 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL6173007 0.86 SMN1; SMN2 (0.46) CHKACNR2CNR1KDM4EMEN1
SCHEMBL6513376 0.84 PIM1 (0.43) CHKACNR2CNR1PORCNHRH3
SCHEMBL6703929 0.81 SMN1; SMN2 (0.50) CHKAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7918841 0.81 SMN1; SMN2 (0.50) CHKAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7328758 0.75 CHKA (0.48) CHKAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7401883 0.73 FFAR1 (0.58)
SCHEMBL6706219 0.73 PORCN (0.44) CNR2CNR1KDM4EALDH1A1PORCN
SCHEMBL6706218 0.73 PORCN (0.44) CNR2CNR1KDM4EALDH1A1PORCN
SCHEMBL5434382 0.71 MAPT (0.50) CHKAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL13603832 0.70 SMN1; SMN2 (0.46) MEN1ALDH1A1KMT2AITGB3MAPT

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-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 CHKA 3002/4885CNR2 2984/4885CNR1 2019/4885

“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.