SCHEMBL2623650

SCHEMBL2623650

CC(CO)NC(=O)c1cccc(C#CCCCC(=O)N(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.44
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.38
MAP4K4 O95819 1/20 0.37

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
SCHEMBL13302487 0.97 ACACB (0.43) ACACBHPGDATMMAP4K4
SCHEMBL13302478 0.94 ACACB (0.45) ACACBHPGDATMMAP4K4
SCHEMBL17049463 0.92 ACACB (0.53) ACACBHPGDATM
SCHEMBL17977249 0.88 PIN1 (0.44) ACACB
SCHEMBL2623651 0.88 ACACB (0.46) ACACBHPGDATMMAP4K4
SCHEMBL16800060 0.87 ACACB (0.40) ACACB
SCHEMBL16800061 0.87 ACACB (0.40) ACACB
SCHEMBL16800001 0.87 ALDH1A1 (0.41) ACACBHPGD
SCHEMBL16799682 0.87 ALDH1A1 (0.41) ACACBHPGD
SCHEMBL16799681 0.87 ALDH1A1 (0.41) ACACBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945619-B1 CRYSTALLINE FORM OF VSN16 UCL BUSINESS PLC (GB) 2019-05-08 EP disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-9682924-B2 Crystalline form of VSN16 CANBEX THERAPEUTICS LIMITED (GB) 2017-06-20 US disclosed
US-9682924-B2 Crystalline form of VSN16 CANBEX THERAPEUTICS LIMITED (GB) 2017-06-20 US disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-20150353476-A1 CRYSTALLINE FORM OF VSN16 ULC BUSINESS PLC (GB) 2015-12-10 US disclosed
US-20120101301-A1 PROCESS FOR PREPARING CARBOXYLIC ACID AMIDES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS UCL BUSINESS PLC (GB) 2012-04-26 US disclosed
WO-2010116116-A1 PROCESS FOR PREPARING CARBOXYLIC ACID AMIDES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS UCL BUSINESS PLC (GB) 2010-10-14 WO disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 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 (6 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-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 ACACB 3036/4885HPGD 2698/4885ATM 4322/4885
US-20150353476-A1 CRYSTALLINE FORM OF VSN16 VAC14, SFXN1, VIL1 ACACB 2951/4885HPGD 3150/4885ATM 4857/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 ACACB 3390/4885HPGD 1896/4885ATM 4443/4885
US-20120101301-A1 PROCESS FOR PREPARING CARBOXYLIC ACID AMIDES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS CPT1B, MUSK, C1R ACACB 208/4885HPGD 2246/4885ATM 3139/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 ACACB 3036/4885HPGD 2698/4885ATM 4322/4885
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION HCN4, KCNJ4, KCNQ4 ACACB 3843/4885HPGD 2385/4885ATM 3547/4885

“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.