SCHEMBL20782005

SCHEMBL20782005

CC(C)(C)C1(CC#N)CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
OPRL1 P41146 4/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
CHKA P35790 1/20 0.45
OPRM1 P35372 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR183 P32249 1/20 0.42
KCNH2 Q12809 3/20 0.41
CACNA1G O43497 2/20 0.41

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
SCHEMBL20781784 0.96 CHKA (0.51) KDM4EALDH1A1OPRL1POLBGAA
SCHEMBL20781763 0.88 OPRL1 (0.43) ALDH1A1OPRL1USP2
SCHEMBL20781791 0.85 OPRL1 (0.48) KDM4EALDH1A1OPRL1GAACHKA
SCHEMBL20782009 0.85 ALDH1A1 (0.55) KDM4EALDH1A1OPRL1GAAL3MBTL1
SCHEMBL20782162 0.85 ALDH1A1 (0.45) KDM4EALDH1A1OPRL1OPRM1USP2
SCHEMBL20781751 0.84 SIGMAR1 (0.41) ALDH1A1OPRL1OPRM1HIF1AEPAS1
SCHEMBL20782141 0.84 USP2 (0.56) ALDH1A1HIF1AUSP2CYP2D6SMN1; SMN2
SCHEMBL19567191 0.84 KDM4E (0.54) KDM4EALDH1A1OPRL1POLBGAA
SCHEMBL26018109 0.84 ALDH1A1 (0.44) KDM4EALDH1A1POLBOPRM1USP2
SCHEMBL20782145 0.84 ALDH1A1 (0.55) ALDH1A1GPR183KCNH2

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-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 KDM4E 1864/4885ALDH1A1 1808/4885OPRL1 2515/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 KDM4E 1864/4885ALDH1A1 1808/4885OPRL1 2515/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 KDM4E 1864/4885ALDH1A1 1808/4885OPRL1 2515/4885

“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.