SCHEMBL5857441

SCHEMBL5857441

Cc1ccc(C(=O)NCC(C)O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
KMT2A Q03164 2/20 0.47
ATM Q13315 2/20 0.45
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 2/20 0.43
OPRM1 P35372 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
HPGD P15428 1/20 0.42
ACR P10323 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9187752 0.89 SMN1; SMN2 (0.59) SMN1; SMN2HTTNPC1RAB9ATAS1R3
SCHEMBL22859136 0.84 FLT1 (0.46) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL22859142 0.84 FLT1 (0.46) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL22859172 0.84 FLT1 (0.46) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5856133 0.80 HPGD (0.58) SMN1; SMN2NPC1RAB9AKMT2AHPGD
SCHEMBL4156165 0.80 SMN1; SMN2 (0.64) SMN1; SMN2HTTNPC1RAB9ATAS1R3
SCHEMBL10602569 0.80 SMN1; SMN2 (0.64) SMN1; SMN2HTTNPC1RAB9ATAS1R3
SCHEMBL24386356 0.80 LMNA (0.56) SMN1; SMN2NPC1RAB9AKMT2AHDAC1
SCHEMBL5800429 0.80 LMNA (0.56) SMN1; SMN2NPC1RAB9AKMT2AHDAC1
SCHEMBL15296551 0.77 TAS1R3 (0.52) SMN1; SMN2HTTNPC1RAB9ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 EP 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB SMN1; SMN2 4207/4885HTT 405/4885NPC1 32/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE SMN1; SMN2 4287/4885HTT 487/4885NPC1 40/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC SMN1; SMN2 4370/4885HTT 417/4885NPC1 63/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC SMN1; SMN2 4370/4885HTT 417/4885NPC1 63/4885

“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.