SCHEMBL19652155

SCHEMBL19652155

CC(C)(C)C(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.51
RBP4 P02753 1/20 0.51
GAA P10253 1/20 0.50
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
ACACB O00763 2/20 0.48
PKM P14618 2/20 0.47
SLC6A7 Q99884 1/20 0.47
CHRM4 P08173 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45

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
SCHEMBL19658658 0.88 ACACB (0.54) ADRB1RBP4CKS1BSKP1SKP2
SCHEMBL2328007 0.87 ADRB1 (0.54) ADRB1RBP4ACACBPKMSLC6A7
SCHEMBL15662916 0.83 PKM (0.54) ADRB1RBP4ACACBPKMSLC6A7
SCHEMBL19652097 0.81 MEN1 (0.55) CKS1BSKP1SKP2KDM4EALDH1A1
SCHEMBL19652195 0.81 PANK3 (0.48) CKS1BSKP1SKP2CHRM4KDM4E
Hydrochloric Acid SCHEMBL17748980 0.80 ADRB1 (0.58) ADRB1RBP4ACACBPKMSLC6A7
SCHEMBL6830336 0.79 SYK (0.51) ADRB1RBP4CKS1BSKP1SKP2
SCHEMBL6830334 0.79 SYK (0.51) ADRB1RBP4CKS1BSKP1SKP2
SCHEMBL19652130 0.79 ADRB1 (0.51) ADRB1RBP4ACACBPKMSLC6A7
SCHEMBL1912281 0.78 KDM4E (0.54) ADRB1RBP4ACACBPKMSLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 ADRB1 976/4885RBP4 1943/4885GAA 1877/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ADRB1 976/4885RBP4 1943/4885GAA 1877/4885

“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.