SCHEMBL8915320

SCHEMBL8915320

CCC(=O)Cc1ccccc1CN1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HDAC6 Q9UBN7 5/20 0.48
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
CHRNA7 P36544 1/20 0.48
MC4R P32245 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
MPO P05164 1/20 0.45
HTR6 P50406 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL18901824 0.88 SMN1; SMN2 (0.49) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL10140834 0.88 KMT2A (0.51) SMN1; SMN2CHRNA7ALDH1A1KDM4EPOLB
SCHEMBL12282251 0.86 KMT2A (0.54) CHRNA7ALDH1A1KDM4EPOLBMPO
SCHEMBL754058 0.84 SMN1; SMN2 (0.54) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL890092 0.84 SMN1; SMN2 (0.51) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL10150886 0.84 CYP2A13 (0.56) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL13469106 0.82 MC4R (0.58) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL888658 0.82 SMN1; SMN2 (0.49) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL8907339 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL3454127 0.78 HDAC3 (0.56) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 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
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 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 (4 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SMN1; SMN2 4162/4885HDAC6 157/4885HDAC3 155/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3741/4885HDAC6 9/4885HDAC3 17/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3298/4885HDAC6 43/4885HDAC3 33/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 SMN1; SMN2 3515/4885HDAC6 43/4885HDAC3 70/4885

“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.