SCHEMBL16559765

SCHEMBL16559765

CC(C)N1CCC2(CC1)CNC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
OTUD7B Q6GQQ9 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
DAO P14920 1/20 0.31

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
SCHEMBL16559744 0.89 OTUD7B (0.36) CYP2D6OTUD7BALDH1A1MAPTOPRM1
SCHEMBL7880708 0.83 OTUD7B (0.47) CYP2D6OTUD7B
SCHEMBL18559582 0.82 OPRM1 (0.33) OTUD7BKDM4ELMNAOPRM1OPRD1
SCHEMBL21370455 0.80 OPRM1 (0.34) OTUD7BALDH1A1KDM4EOPRM1OPRD1
SCHEMBL9963244 0.80 OTUD7B (0.38) CYP2D6OTUD7BALDH1A1MAPTKDM4E
SCHEMBL16559745 0.80 SMN1; SMN2 (0.38) ALDH1A1MAPTTOP2ATOP2BTDP1
SCHEMBL18842877 0.80 OPRD1 (0.36) ALDH1A1KDM4ELMNAOPRM1OPRD1
SCHEMBL10062592 0.78 CHRM2 (0.42) OTUD7BKDM4EPDCD1LG2CD274
SCHEMBL22460223 0.77 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1PDCD1LG2
SCHEMBL18592722 0.77 OTUD7B (0.53) CYP2D6OTUD7BTOP2ATOP2B

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-11352343-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20210380588-A1 Novel Compounds and Uses Thereof OXFORD FINANCE LLC 2021-12-09 US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20200299272-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2020-09-24 US disclosed
US-10723719-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 US disclosed
US-10544151-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-01-28 US disclosed
US-20190284172-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2019-09-19 US disclosed
US-10351570-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-07-16 US disclosed
US-9802922-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802922-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 US disclosed
US-9580421-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-9580421-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20160137646-A1 Novel Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2016-03-03 US disclosed
US-9212145-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-20150072986-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2015-03-12 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 (14 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-20150072986-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 CYP2D6 3454/4885OTUD7B 877/4885ALDH1A1 1432/4885
US-20160137646-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA CYP2D6 3557/4885OTUD7B 1523/4885ALDH1A1 1517/4885
US-11352343-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CYP2D6 3454/4885OTUD7B 877/4885ALDH1A1 1432/4885
US-20210380588-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA CYP2D6 3557/4885OTUD7B 1523/4885ALDH1A1 1517/4885
US-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA CYP2D6 3557/4885OTUD7B 1523/4885ALDH1A1 1517/4885
US-10544151-B2 Compounds and uses thereof RB1, VEGFA, KDR CYP2D6 3620/4885OTUD7B 1358/4885ALDH1A1 1409/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 CYP2D6 3714/4885OTUD7B 1607/4885ALDH1A1 1477/4885
US-10723719-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CYP2D6 3454/4885OTUD7B 877/4885ALDH1A1 1432/4885
US-20200299272-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 CYP2D6 3454/4885OTUD7B 877/4885ALDH1A1 1432/4885
US-20190284172-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 CYP2D6 3454/4885OTUD7B 877/4885ALDH1A1 1432/4885
US-10351570-B2 Compounds and uses thereof RB1, VEGFA, FLT4 CYP2D6 3714/4885OTUD7B 1607/4885ALDH1A1 1477/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 CYP2D6 3454/4885OTUD7B 877/4885ALDH1A1 1432/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CYP2D6 2836/4885OTUD7B 143/4885ALDH1A1 3208/4885
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 CYP2D6 3454/4885OTUD7B 877/4885ALDH1A1 1432/4885

“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.