SCHEMBL888879

SCHEMBL888879

CC(C)C(=O)CN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
CHRM5 P08912 3/20 0.41
CHRM3 P20309 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHRM1 P11229 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
MAOB P27338 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
SCHEMBL1708844 0.98 GAA (0.50) GAAALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL14487492 0.95 SIGMAR1 (0.44) GAAALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL20438446 0.90 PIK3CD (0.40) GAAALDH1A1SMN1; SMN2NPC1CHRM5
SCHEMBL21454477 0.87 HSD17B10 (0.44) GAAALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL21454476 0.86 HSD17B10 (0.42) GAAALDH1A1SMN1; SMN2NPC1CHRM5
SCHEMBL18623939 0.86 HSD17B10 (0.42) GAAALDH1A1SMN1; SMN2NPC1CHRM5
SCHEMBL24220956 0.82 HSD17B10 (0.47) ALDH1A1SMN1; SMN2NPC1CHRM5CHRM3
SCHEMBL21764427 0.82 HSD17B10 (0.47) ALDH1A1SMN1; SMN2NPC1CHRM5CHRM3
SCHEMBL888876 0.82 SIGMAR1 (0.45) ALDH1A1KMT2ATDP1SIGMAR1POLB
SCHEMBL20202265 0.82 HSD17B10 (0.47) ALDH1A1SMN1; SMN2NPC1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9140348-A None JP disclosed
US-20240217990-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2024-07-04 US disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230348360-A1 Amino Lipid and Preparation Method and Application Thereof SHENZHEN MAGICRNA BIOTECHNOLOGY CO LTD (CN) 2023-11-02 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
JP-H09140348-A AGENT FOR IMPROVING FLAVOR AND SMELL QUALITY OF FOOD PERFUME AND IMPROVEMENT OF FLAVOR AND SMELL QUALITY OF FOOD PERFUME AND FOOD PERFUME COMPOSITION SHIONO KORYO KK 1997-06-03 JP 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 (13 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 GAA 1425/4885ALDH1A1 1889/4885SMN1; SMN2 3534/4885
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM GAA 77/4885ALDH1A1 4673/4885SMN1; SMN2 2481/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS GAA 223/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 GAA 433/4885ALDH1A1 287/4885SMN1; SMN2 3515/4885
US-20230348360-A1 Amino Lipid and Preparation Method and Application Thereof SLC7A1, SLC7A5, SLC43A1 GAA 70/4885ALDH1A1 2776/4885SMN1; SMN2 2084/4885
US-20240217990-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 GAA 3092/4885ALDH1A1 2343/4885SMN1; SMN2 4502/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 GAA 3287/4885ALDH1A1 2100/4885SMN1; SMN2 4476/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH GAA 971/4885ALDH1A1 2361/4885SMN1; SMN2 3629/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 GAA 433/4885ALDH1A1 287/4885SMN1; SMN2 3515/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GAA 285/4885ALDH1A1 365/4885SMN1; SMN2 4162/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM GAA 77/4885ALDH1A1 4673/4885SMN1; SMN2 2481/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885

“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.