SCHEMBL16017678

SCHEMBL16017678

CC(=O)C1CCCCN1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.36
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL10222496 0.94 HSD17B10 (0.38) CNR2CNR1LMNACYP2C19HSD17B10
SCHEMBL17403515 0.94 HSD17B10 (0.38) CNR2CNR1LMNACYP2C19HSD17B10
SCHEMBL17615527 0.94 HSD17B10 (0.38) CNR2CNR1LMNACYP2C19HSD17B10
SCHEMBL19271791 0.85 HTT (0.39) LMNAHTT
SCHEMBL19487470 0.85 HTT (0.39) LMNAHTT
SCHEMBL5429806 0.84 LMNA (0.44) LMNACYP2C19HSD17B10ALDH1A1HTT
SCHEMBL10037291 0.84 LMNA (0.44) LMNACYP2C19HSD17B10ALDH1A1HTT
SCHEMBL1592788 0.84 LMNA (0.44) LMNACYP2C19HSD17B10ALDH1A1HTT
SCHEMBL4901400 0.82 EPHX1 (0.35) FKBP1ALMNACYP2C19HSD17B10ALDH1A1
SCHEMBL15119980 0.82 ALDH1A1 (0.38) FKBP1ALMNACYP2C19HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-20230192713-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 ALIGOS THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20210300909-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-09-30 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-9585880-B2 Cyclic amino compounds for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-03-07 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-21 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 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 (8 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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 FKBP1A 2689/4885CNR2 3843/4885CNR1 3889/4885
US-20230192713-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 CD274, PDCD1LG2, PDCD1 FKBP1A 2092/4885CNR2 4674/4885CNR1 3847/4885
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 FKBP1A 1918/4885CNR2 2436/4885CNR1 1881/4885
US-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 FKBP1A 2092/4885CNR2 4674/4885CNR1 3847/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 FKBP1A 2689/4885CNR2 3843/4885CNR1 3889/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 FKBP1A 1997/4885CNR2 2449/4885CNR1 2072/4885
US-20210300909-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP FKBP1A 301/4885CNR2 533/4885CNR1 722/4885
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, AKAP8L FKBP1A 724/4885CNR2 2767/4885CNR1 2230/4885

“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.