SCHEMBL11947826

SCHEMBL11947826

CC(C)(C)N1CCC2(CCN(c3ccccn3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 18/20 0.57
▸ ALDH1A1 P00352 16/20 0.57
▸ HPGD P15428 12/20 0.57
▸ TSHR P16473 9/20 0.57
▸ CYP2D6 P10635 8/20 0.57
▸ CYP3A4 P08684 8/20 0.57
▸ CYP2C19 P33261 7/20 0.57
▸ CYP2C9 P11712 6/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ USP2 O75604 4/20 0.57
▸ MAPK1 P28482 4/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CYP1A2 P05177 8/20 0.56
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL11947809 0.91 HSD17B10 (0.64) HSD17B10ALDH1A1HPGDTSHRCYP2D6
SCHEMBL13168323 0.88 HSD17B10 (0.53) HSD17B10ALDH1A1HPGDTSHRCYP2D6
SCHEMBL17516289 0.83 ALDH1A1 (0.58) HSD17B10ALDH1A1HPGDTSHRCYP2D6
SCHEMBL11947825 0.82 CYP3A4 (0.53) HSD17B10ALDH1A1HPGDTSHRCYP2D6
SCHEMBL14996524 0.81 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRCYP2D6
SCHEMBL136881 0.80 PLD1 (0.56) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2629501 0.77 USP2 (0.51) HSD17B10ALDH1A1HPGDTSHRCYP2D6
SCHEMBL14996516 0.77 HSD17B10 (0.69) HSD17B10ALDH1A1HPGDTSHRCYP2D6
SCHEMBL13168160 0.77 HSD17B10 (0.57) HSD17B10ALDH1A1HPGDTSHRCYP2D6
SCHEMBL13131034 0.76 MAPT (0.48) ALDH1A1HPGDCYP2C19CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HSD17B10 4072/4885ALDH1A1 2086/4885HPGD 386/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 HSD17B10 3943/4885ALDH1A1 1533/4885HPGD 1251/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD17B10 4072/4885ALDH1A1 2086/4885HPGD 386/4885

“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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