SCHEMBL6107404

SCHEMBL6107404

O=C(Nc1ccc(Cl)cn1)c1ccccc1OCC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ F10 P00742 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTBP1 P26599 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47

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
SCHEMBL6107157 0.85 CHRM2 (0.64) NPC1RAB9ASMN1; SMN2ALOX15HTT
SCHEMBL6111038 0.83 F10 (0.58) NPC1RAB9ASMN1; SMN2ALOX15HTT
Hydrochloric Acid SCHEMBL6108295 0.82 F10 (0.57) NPC1RAB9ASMN1; SMN2ALOX15HTT
SCHEMBL6108178 0.82 DEGS1 (0.50) NPC1RAB9ASMN1; SMN2ALOX15HTT
SCHEMBL6107029 0.82 F10 (0.55) NPC1RAB9ASMN1; SMN2ALOX15HTT
Hydrochloric Acid SCHEMBL6112474 0.82 DEGS1 (0.49) NPC1RAB9ASMN1; SMN2ALOX15HTT
SCHEMBL6108691 0.80 NR3C1 (0.49) NPC1RAB9ASMN1; SMN2ALOX15HTT
Trifluoroacetic Acid SCHEMBL6108839 0.80 CHRM3 (0.57) SMN1; SMN2TDP1F10CHRM2CHRM1
SCHEMBL7360771 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALOX15HTT
SCHEMBL6108672 0.79 F10 (0.56) NPC1RAB9ASMN1; SMN2ALOX15HTT

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 NPC1 1659/4885RAB9A 2097/4885SMN1; SMN2 3975/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 NPC1 1659/4885RAB9A 2097/4885SMN1; SMN2 3975/4885

“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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