SCHEMBL7726987

SCHEMBL7726987

CC(C)n1cnc2cc(C(F)(F)F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.54
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
KDM4E B2RXH2 5/20 0.46
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
GFER P55789 2/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.41
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39

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
SCHEMBL19848505 0.87 HCAR3 (0.43) HCAR3RAB9ANPC1KDM4EALDH1A1
SCHEMBL13920390 0.85 HCAR3 (0.55) HCAR3RAB9ANPC1KDM4ENPSR1
SCHEMBL19848382 0.85 NPSR1 (0.46) HCAR3RAB9ANPC1KDM4ENPSR1
SCHEMBL6175852 0.84 NPSR1 (0.46) HCAR3RAB9ANPC1KDM4ENPSR1
SCHEMBL7721135 0.78 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ENPSR1
SCHEMBL30914208 0.78 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ENPSR1
SCHEMBL2570814 0.78 GRM5 (0.47) RAB9ANPC1KDM4ENPSR1ALDH1A1
SCHEMBL31202948 0.77 HCAR3 (0.50) HCAR3RAB9ANPC1KDM4ENPSR1
SCHEMBL11396992 0.76 RAB9A (0.61) HCAR3RAB9ANPC1KDM4ENPSR1
SCHEMBL19915937 0.75 NPC1 (0.49) RAB9ANPC1KDM4ENPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 (3 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 HCAR3 4636/4885RAB9A 3611/4885NPC1 2529/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 HCAR3 1959/4885RAB9A 1604/4885NPC1 1617/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 HCAR3 4636/4885RAB9A 3611/4885NPC1 2529/4885

“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.