SCHEMBL10130744

SCHEMBL10130744

CC(C)N1CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
FKBP1A P62942 1/20 0.61
TSHR P16473 2/20 0.59
CHRM1 P11229 1/20 0.58
ME2 P23368 1/20 0.58
ME1 P48163 1/20 0.58
ME3 Q16798 1/20 0.58
KMT2A Q03164 2/20 0.57
GFER P55789 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
NAAA Q02083 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL7131839 0.87 NPC1 (0.86) NPC1TDP1POLBL3MBTL1FKBP1A
SCHEMBL13503772 0.85 HRH3 (0.67) POLBFKBP1AME2ME1ME3
SCHEMBL18389820 0.84 KDM4E (0.72) L3MBTL1TSHRCHRM1ME2ME1
SCHEMBL18705025 0.84 C3AR1 (0.54) KMT2AMEN1
SCHEMBL10163014 0.83 NPC1 (0.73) NPC1TDP1POLBL3MBTL1FKBP1A
SCHEMBL26754486 0.82 FKBP1A (0.52) POLBL3MBTL1FKBP1ATSHRME2
SCHEMBL3796874 0.81 NPC1 (0.75) NPC1TDP1POLBL3MBTL1FKBP1A
SCHEMBL25432319 0.80 NPC1 (0.93) NPC1TDP1POLBL3MBTL1FKBP1A
SCHEMBL3700679 0.80 NPC1 (1.00) NPC1TDP1POLBL3MBTL1FKBP1A
SCHEMBL13503649 0.80 HRH3 (0.54) NPC1CHRM1KMT2AMEN1MAPT

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-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 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 (5 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD NPC1 1851/4885TDP1 1240/4885POLB 438/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 NPC1 3484/4885TDP1 914/4885POLB 4372/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD NPC1 2295/4885TDP1 545/4885POLB 151/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 NPC1 485/4885TDP1 1083/4885POLB 1142/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF NPC1 4333/4885TDP1 755/4885POLB 3474/4885

“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.