SCHEMBL8910391

SCHEMBL8910391

CN1CCC[C@@H]1C(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
RIPK1 Q13546 1/20 0.33
WNT3 P56703 1/20 0.33
SFRP1 Q8N474 1/20 0.33

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
SCHEMBL1697363 1.00 CYP3A4 (0.41) CYP3A4CYP2D6HSD17B10LMNACYP2C19
SCHEMBL10037206 1.00 CYP3A4 (0.41) CYP3A4CYP2D6HSD17B10LMNACYP2C19
SCHEMBL22570260 0.94 ALDH1A1 (0.39) CYP3A4CYP2D6ALDH1A1
SCHEMBL16979500 0.94 ALDH1A1 (0.39) CYP3A4CYP2D6ALDH1A1
SCHEMBL21341484 0.87 ALDH1A1 (0.34) CYP3A4CYP2D6LMNAALDH1A1RIPK1
SCHEMBL10120394 0.87 ALDH1A1 (0.34) CYP3A4CYP2D6LMNAALDH1A1RIPK1
Pivalate SCHEMBL29159394 0.80 LMNA (0.46) CYP3A4CYP2D6HSD17B10LMNACYP2C19
SCHEMBL27363236 0.78 CYP3A4 (0.46) CYP3A4CYP2D6HSD17B10LMNACYP2C19
SCHEMBL15119983 0.78 HSD17B10 (0.37) HSD17B10LMNACYP2C19ALDH1A1CA12
SCHEMBL10052110 0.78 HSD17B10 (0.37) HSD17B10LMNACYP2C19ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP3A4 56/4885CYP2D6 497/4885HSD17B10 906/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP3A4 136/4885CYP2D6 639/4885HSD17B10 779/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP3A4 138/4885CYP2D6 478/4885HSD17B10 932/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CYP3A4 87/4885CYP2D6 309/4885HSD17B10 1019/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CYP3A4 40/4885CYP2D6 365/4885HSD17B10 1025/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 CYP3A4 120/4885CYP2D6 138/4885HSD17B10 68/4885

“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.