SCHEMBL5858634

SCHEMBL5858634

Cc1ccc(C(=O)NCC(C)O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
ABCB1 P08183 1/20 0.52
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 2/20 0.49
LMNA P02545 2/20 0.49
SMPD1 P17405 1/20 0.49
POLB P06746 2/20 0.48
NAMPT P43490 2/20 0.48
ACSS2 Q9NR19 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL22580604 0.88 NR1H4 (0.56) NR1H4ABCB1KMT2AGAAHSD17B10
SCHEMBL9435244 0.86 CHRNA1 (0.50) NR1H4ABCB1KMT2AGAAHSD17B10
SCHEMBL9435248 0.86 CHRNA1 (0.50) NR1H4ABCB1KMT2AGAAHSD17B10
SCHEMBL25970079 0.82 TAS1R3 (0.56) NR1H4ABCB1KMT2AGAAHSD17B10
SCHEMBL14339243 0.81 SMPD1 (0.48) ABCB1KMT2AGAAHSD17B10TAS1R3
SCHEMBL24386356 0.81 LMNA (0.56) KMT2AGAAHPGDLMNAPOLB
SCHEMBL9717443 0.81 GAA (0.77) KMT2AGAAHSD17B10HPGDSMPD1
SCHEMBL5800429 0.81 LMNA (0.56) KMT2AGAAHPGDLMNAPOLB
SCHEMBL22580603 0.80 KMT2A (0.69) NR1H4KMT2ATAS1R3TAS1R1TP53
SCHEMBL19291298 0.80 NPC1 (0.68) NR1H4KMT2ATP53LMNAPOLB

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-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (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 NR1H4 479/4885ABCB1 839/4885KMT2A 1723/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE NR1H4 612/4885ABCB1 820/4885KMT2A 2137/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC NR1H4 597/4885ABCB1 1038/4885KMT2A 2456/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC NR1H4 597/4885ABCB1 1038/4885KMT2A 2456/4885

“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.