SCHEMBL6108204

SCHEMBL6108204

Cc1ccc(NCC2CCNCC2)c(C(=O)Nc2ccc(F)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.47
▸ CHEK1 O14757 4/20 0.45
▸ HCRTR1 O43613 7/20 0.43
▸ GRM5 P41594 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ HCRTR2 O43614 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ F10 P00742 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6106827 0.89 F10 (0.52) CRHR1CHEK1F10
SCHEMBL6107921 0.89 F10 (0.52) CHEK1TP53NPC1RAB9AF10
SCHEMBL6109660 0.85 F10 (0.51) CRHR1HCRTR1GRM5KDM4EHCRTR2
SCHEMBL6107653 0.85 F10 (0.52) CRHR1CHEK1NPC1RAB9AF10
SCHEMBL6106785 0.85 F10 (0.52) CRHR1CHEK1NPC1RAB9AF10
SCHEMBL6106818 0.80 F10 (0.58) F10
SCHEMBL6107299 0.76 F10 (0.51) CHEK1CHEK2F10
SCHEMBL6107514 0.75 F10 (0.64) CRHR1F10
SCHEMBL6107309 0.75 F10 (0.51) HCRTR1F10
SCHEMBL6107029 0.75 F10 (0.55) CHEK1NPC1RAB9AF10SMN1; SMN2

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 8 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
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — 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 (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 CRHR1 3637/4885CHEK1 4721/4885HCRTR1 3611/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 CRHR1 3637/4885CHEK1 4721/4885HCRTR1 3611/4885

“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.

Send feedback