SCHEMBL1861351

SCHEMBL1861351

CC(CCCC[S])c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.52
▸ TAAR1 Q96RJ0 3/20 0.48
▸ TRPA1 O75762 4/20 0.44
▸ AOC3 Q16853 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.39

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
SCHEMBL5609708 0.85 RIPK1 (0.57) RIPK1TAAR1TRPA1AOC3
SCHEMBL598533 0.81 RIPK1 (0.53) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL6280516 0.79 RIPK1 (0.67) RIPK1TAAR1TRPA1AOC3
SCHEMBL1412787 0.79 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL5961079 0.79 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL1861354 0.79 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL3080030 0.79 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL1299997 0.79 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL19160055 0.79 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3
SCHEMBL1144320 0.79 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 — — US disclosed
EP-2489660-A1 Methods for making central nervous system agents that are TRPV1 antagonists Abbott Laboratories (US) 2012-08-22 — — EP disclosed
US-8247413-B2 e.g. N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea; opioid receptor inhibitor; analgesic, antiinflammatory agent; inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity ABBOTT LABORATORIES (US) 2012-08-21 — — US disclosed
US-8232411-B2 Methods for making central nervous system agents that are TRPV1 antagonists ABBOTT LABORATORIES (US) 2012-07-31 — — US disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 — — US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 — — US disclosed
US-8026256-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-09-27 — — US disclosed
EP-2323989-A2 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-05-25 — — EP disclosed
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 — — EP disclosed
US-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-01-21 — — US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 — — US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 — — US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 — — US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 — — WO disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 — — US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 — — EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 — — WO disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 — — WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 — — EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 — — 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 (5 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 RIPK1 3151/4885TAAR1 1916/4885TRPA1 104/4885
US-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS TRPV1, TRPV2, OPRL1 RIPK1 3058/4885TAAR1 415/4885TRPA1 6/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 RIPK1 3729/4885TAAR1 1930/4885TRPA1 1246/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 RIPK1 3729/4885TAAR1 1930/4885TRPA1 1246/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 RIPK1 3106/4885TAAR1 704/4885TRPA1 21/4885

“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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