SCHEMBL5022144

SCHEMBL5022144

Cc1ccc2c(c1)N(C)CC(=O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
AADAT Q8N5Z0 2/20 0.40
METAP1 P53582 2/20 0.39
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.35
F2 P00734 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL26337911 0.79 METAP1 (0.39) HSD17B10AADATMETAP1ALDH1A1MEN1
SCHEMBL18359180 0.78 SRD5A1 (0.36) ALDH1A1HPGDKDM4ESMN1; SMN2PARP1
SCHEMBL2051982 0.76 CYP1A2 (0.48) ALDH1A1HPGDKMT2ANOTUMGAA
SCHEMBL5986263 0.74 HSD17B10 (0.47) HSD17B10AADATMETAP1ALDH1A1MEN1
SCHEMBL5987698 0.71 HSD17B10 (0.44) HSD17B10AADATMETAP1ALDH1A1KDM4E
SCHEMBL26348017 0.70 NOTUM (0.37) HSD17B10AADATALDH1A1MEN1HPGD
SCHEMBL22461103 0.70 HSD17B10 (0.47) HSD17B10AADATMETAP1NOTUMGAA
SCHEMBL6584911 0.70 METAP1 (0.52) HSD17B10AADATMETAP1ALDH1A1MEN1
SCHEMBL2625792 0.69 ALDH1A1 (0.50) HSD17B10AADATALDH1A1HPGDKMT2A
SCHEMBL16310157 0.69 HSD17B10 (0.46) HSD17B10AADATMETAP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512111-B2 N-sulfonylated tetrahydroquinolines and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2016-12-06 US disclosed
US-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2014-03-27 US disclosed
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 WO disclosed
US-20110251212-A1 PIPERAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2011-10-13 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 (2 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-20110251212-A1 PIPERAZINE DERIVATIVES GRIN2C, NR2C2, GRIN3A HSD17B10 2090/4885AADAT 3748/4885METAP1 4412/4885
US-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA HSD17B10 480/4885AADAT 2915/4885METAP1 4107/4885

“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.