SCHEMBL20799656

SCHEMBL20799656

CC(CC(=O)N[C@H](C)c1ccc(C(=O)N2CCCCCC2)s1)c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.38
FPR1 P21462 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL19146641 0.99 SMN1; SMN2 (0.42) HPGDSMN1; SMN2NPC1RAB9AHTT
SCHEMBL20799682 0.92 HRH4 (0.39) SMN1; SMN2NPC1RAB9AHTTHRH4
SCHEMBL20799678 0.83 NPC1 (0.42) SMN1; SMN2NPC1RAB9AHTTMMP1
SCHEMBL20799671 0.78 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AHTTMMP1
SCHEMBL20559554 0.78 HTR2B (0.41) HPGDSMN1; SMN2NPC1RAB9AHRH4
SCHEMBL20559820 0.78 HTR2B (0.41) HPGDSMN1; SMN2NPC1RAB9AHRH4
SCHEMBL20559415 0.78 HTR2B (0.41) HPGDSMN1; SMN2NPC1RAB9AHRH4
SCHEMBL20559817 0.78 HTR2B (0.41) HPGDSMN1; SMN2NPC1RAB9AHRH4
SCHEMBL20558932 0.78 HTR2B (0.41) HPGDSMN1; SMN2NPC1RAB9AHRH4
SCHEMBL20559410 0.78 HTR2B (0.41) HPGDSMN1; SMN2NPC1RAB9AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 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 (1 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-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E HPGD 3843/4885SMN1; SMN2 1732/4885NPC1 3072/4885

“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.