SCHEMBL4134145

SCHEMBL4134145

O=C(O)[C@@H]1C[C@H]1c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR88 Q9GZN0 1/20 0.45
HDAC4 P56524 1/20 0.45
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL14549996 1.00 FFAR1 (0.49) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL14480293 1.00 FFAR1 (0.49) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL4205894 1.00 FFAR1 (0.49) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL31684351 1.00 FFAR1 (0.49) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL7000145 1.00 FFAR1 (0.49) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL5679362 1.00 FFAR1 (0.49) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL18631695 1.00 FFAR1 (0.49) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL3028218 1.00 FFAR1 (0.49) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL4133997 0.85 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1GPR88
SCHEMBL4133995 0.85 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316049-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
EP-3394044-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2018-10-31 EP disclosed
EP-3372582-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2018-09-12 EP disclosed
US-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2018-09-06 US disclosed
EP-2729447-B1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H LUNDBECK AS (DK) 2018-05-30 EP disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-8598213-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-12-03 US disclosed
WO-2013007621-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2013-01-17 WO disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
US-20090036473-A1 NOVEL QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-02-05 US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 WO disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed
US-6172091-B1 METABOLIC CALCIUM IMBALANCE AND OSTEOPOROSIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-01-09 US disclosed
WO-2000021910-A2 1,2-DISUBSTITUTED CYCLOPROPANES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-04-20 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 (7 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-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 FFAR1 318/4885HTR2A 436/4885HTR2C 611/4885
US-20090036473-A1 NOVEL QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNK17, KCNN3, KCNA7 FFAR1 2816/4885HTR2A 910/4885HTR2C 564/4885
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 FFAR1 303/4885HTR2A 399/4885HTR2C 534/4885
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor CHRNG, CHRNA7, CHRNA1 FFAR1 285/4885HTR2A 391/4885HTR2C 533/4885
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS FFAR1 3173/4885HTR2A 4240/4885HTR2C 4299/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS FFAR1 3173/4885HTR2A 4240/4885HTR2C 4299/4885
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A FFAR1 43/4885HTR2A 2/4885HTR2C 1/4885

“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.