SCHEMBL1965858

SCHEMBL1965858

Nc1cccc(N2CCNC2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.61
▸ CRBN Q96SW2 1/20 0.61
▸ ADRA2C P18825 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ALOX5 P09917 3/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ CYP2D6 P10635 2/20 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
SCHEMBL13151156 0.83 DDB1 (0.44) DDB1CRBNMEN1KMT2AALOX5
SCHEMBL7344849 0.82 ALOX5 (0.59) MAPTALDH1A1MEN1KMT2AALOX5
SCHEMBL5056229 0.82 ALOX5 (0.50) DDB1CRBNMAPTALDH1A1MEN1
SCHEMBL1787047 0.81 ALDH1A1 (0.51) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL150081 0.81 ALOX5 (0.60) MAPTMEN1KMT2AALOX5ADRB1
SCHEMBL5182221 0.81 FAAH (0.47) DDB1CRBNMAPTMEN1KMT2A
SCHEMBL13853418 0.80 CYP2C9 (0.45) DDB1CRBNMAPTALDH1A1MEN1
SCHEMBL27945523 0.79 HTR1A (0.54) DDB1CRBNALDH1A1ALOX5CYP3A4
Hydrochloric Acid SCHEMBL3950851 0.79 CYP2C9 (0.44) DDB1CRBNMAPTALDH1A1MEN1
SCHEMBL146714 0.79 NPC1 (0.56) DDB1CRBNMAPTALDH1A1MEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 — — US disclosed
EP-2334637-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-01-04 — — EP disclosed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 — — US disclosed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 — — EP disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 — — US disclosed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 — — WO disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 — — US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 — — US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 — — WO disclosed
US-7288559-B2 Carboxamide spirohydantoin CGRP receptor antagonists MERCK + CO, INC. (US) 2007-10-30 — — US disclosed
US-7288559-B2 Carboxamide spirohydantoin CGRP receptor antagonists MERCK + CO, INC. (US) 2007-10-30 — — US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
US-20070111982-A1 Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides MERCK SHARP & DOHME LLC 2007-05-17 — — US disclosed
US-20070111982-A1 Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides MERCK SHARP & DOHME LLC 2007-05-17 — — US disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 — — WO disclosed
EP-0675172-B1 Water-solable azo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-11 — — EP disclosed
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 — — 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 (4 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-20100087438-A1 New Potassium Channel Blockers KCNJ2, KCNB1, KCNJ11 DDB1 3518/4885CRBN 2871/4885ADRA2C 269/4885
US-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 DDB1 4388/4885CRBN 469/4885ADRA2C 382/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 DDB1 3920/4885CRBN 927/4885ADRA2C 627/4885
US-20070111982-A1 Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides CALCA, CALCRL, CALCB DDB1 1450/4885CRBN 1503/4885ADRA2C 559/4885

“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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