SCHEMBL6112113

SCHEMBL6112113

Cc1ccc(NCC2CCN(C(C)C3CC3)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.55
▸ KCNH2 Q12809 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6108134 0.94 F10 (0.62) F10KCNH2
Hydrochloric Acid SCHEMBL6109814 0.92 F10 (0.54) F10KCNH2
SCHEMBL6108954 0.92 F10 (0.65) F10KCNH2TSHRTP53NFKB1
SCHEMBL6108299 0.89 F10 (0.51) F10RAB9ASMN1; SMN2
SCHEMBL6107968 0.86 F10 (0.73) F10KCNH2
SCHEMBL6108762 0.85 F10 (0.65) F10KCNH2
SCHEMBL6107309 0.84 F10 (0.51) F10KCNH2
SCHEMBL6108156 0.84 F10 (0.51) F10KCNH2
SCHEMBL6111007 0.83 F10 (0.55) F10KCNH2
SCHEMBL6107921 0.83 F10 (0.52) F10TSHRTP53NFKB1RAB9A

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-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 — — US disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 — — US disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 — — EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 — — US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 — — US disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 — — 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 (2 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-20040029874-A1 Aromatic amides F11, F12, F5 F10 12/4885KCNH2 1804/4885TSHR 1609/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885KCNH2 1804/4885TSHR 1609/4885

“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.

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