SCHEMBL7043474

SCHEMBL7043474

CC(C)(C)OC(=O)N1CCC(Nc2ccc(NC(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
HTT P42858 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 2/20 0.59
TGM2 P21980 3/20 0.54
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
STS P08842 1/20 0.50
ENPP2 Q13822 1/20 0.49
NAMPT P43490 1/20 0.49
GPR119 Q8TDV5 1/20 0.49
PRMT5 O14744 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NTSR1 P30989 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TGM6 O95932 1/20 0.48

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
SCHEMBL14824682 0.88 NAMPT (0.65) HTTNPC1RAB9AMAPTTGM2
SCHEMBL23783295 0.87 FAAH (0.53) HTTMAPTPTPN2PTPN1PTPN6
SCHEMBL7786203 0.86 ALDH1A1 (0.64) ALDH1A1L3MBTL1HTTNPC1RAB9A
SCHEMBL6192978 0.86 GPR119 (0.51) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL6627924 0.85 NAMPT (0.62) ALDH1A1HTTNPC1MAPTNAMPT
SCHEMBL7043443 0.85 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTNPC1RAB9A
SCHEMBL27097774 0.85 KDM1A (0.55) HTTNPC1RAB9ATGM2PTPN2
SCHEMBL7391868 0.85 ALDH1A1 (0.67) ALDH1A1L3MBTL1HTTNPC1RAB9A
SCHEMBL1652106 0.85 STS (0.58) ALDH1A1L3MBTL1HTTNPC1RAB9A
SCHEMBL7870 0.85 L3MBTL1 (0.58) ALDH1A1L3MBTL1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 US disclosed
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US disclosed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 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-20010023249-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G ALDH1A1 943/4885L3MBTL1 4195/4885HTT 2845/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G ALDH1A1 943/4885L3MBTL1 4195/4885HTT 2845/4885

“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.