SCHEMBL8916458

SCHEMBL8916458

CCC(=O)[C@@H]1C[C@@H](F)CN1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.41
SMYD3 Q9H7B4 1/20 0.39
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL12281477 1.00 CTSC (0.41) CTSCSMYD3CYP1A2CYP2D6ALOX15
SCHEMBL5597343 0.80
Butanone SCHEMBL11500295 0.79 CYP2D6 (0.46) CTSCSMYD3CYP1A2CYP2D6ALOX15
Butanone SCHEMBL11500294 0.79 CYP2D6 (0.46) CTSCSMYD3CYP1A2CYP2D6ALOX15
SCHEMBL23538498 0.78 MGAM (0.42) CTSCSMYD3ALOX15
SCHEMBL22821307 0.78 MGAM (0.42) CTSCSMYD3ALOX15
SCHEMBL10067941 0.78 DPP4 (0.40) CTSCSMYD3CYP1A2CYP2D6ALOX15
SCHEMBL19374366 0.78 CTSC (0.37) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL26575461 0.78 CTSC (0.37) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL13188074 0.78 CTSC (0.37) CTSCCYP1A2CYP2D6ALOX15CYP2C19

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
WO-2020099925-A2 PEPTIDES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING EYE DISEASES YUYU PHARMA, INC. (KR) 2020-05-22 WO disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO 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
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

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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CTSC 198/4885SMYD3 2820/4885CYP1A2 240/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CTSC 330/4885SMYD3 3484/4885CYP1A2 390/4885

“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.