SCHEMBL1366070

SCHEMBL1366070

c1cncc(C2CC[N]C2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.59
CHRNB2 P17787 7/20 0.50
CHRNA4 P43681 6/20 0.50
CHRNA7 P36544 7/20 0.46
CYP2A6 P11509 3/20 0.46
MEN1 O00255 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRNA3 P32297 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA2 Q15822 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR3E A5X5Y0 1/20 0.42

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
SCHEMBL7483375 0.89 CYP11B2 (0.66) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL2101586 0.89 CYP11B2 (0.69) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL990213 0.80
SCHEMBL29848157 0.80
Ammonia Solution, Strong SCHEMBL28985148 0.78 CYP11B2 (0.77) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL1366116 0.78 SLC18A3 (0.45) TRPA1MAPT
SCHEMBL1367144 0.78 SLC18A3 (0.45) TRPA1MAPT
SCHEMBL242194 0.78 SLC18A3 (0.45) TRPA1MAPT
SCHEMBL30434052 0.76 CYP11B2 (0.88) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL1366303 0.76 CYP19A1 (0.36) CYP11B2CYP2C19SMN1; SMN2CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
EP-1885349-B1 Sulphamides for treatment of cancer MERCK SHARP & DOHME (GB) 2016-03-09 EP claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP claimed
US-20110263580-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2011-10-27 US claimed
WO-2011025541-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2011-03-03 WO claimed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP claimed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
JP-2004513108-A 2004-04-30 JP claimed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed

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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 CYP11B2 1530/4885CHRNB2 139/4885CHRNA4 85/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 CYP11B2 1525/4885CHRNB2 4881/4885CHRNA4 4883/4885
US-20110263580-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS BACE1, BACE2, APP CYP11B2 1823/4885CHRNB2 79/4885CHRNA4 159/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R CYP11B2 443/4885CHRNB2 448/4885CHRNA4 546/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CYP11B2 3288/4885CHRNB2 4884/4885CHRNA4 4863/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 CYP11B2 2865/4885CHRNB2 133/4885CHRNA4 422/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 CYP11B2 1530/4885CHRNB2 139/4885CHRNA4 85/4885

“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.