SCHEMBL17570992

SCHEMBL17570992

CCC(=O)C1CCC(CN2C(=O)CC(C)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 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
SCHEMBL12013341 0.86 HTT (0.34) ALDH1A1GPBAR1BACE1BACE2
SCHEMBL20180664 0.86 HTT (0.34) ALDH1A1GPBAR1BACE1BACE2
SCHEMBL20180516 0.86 HTT (0.34) ALDH1A1GPBAR1BACE1BACE2
SCHEMBL20180680 0.86 HTT (0.34) ALDH1A1GPBAR1BACE1BACE2
SCHEMBL19533069 0.86 HTT (0.34) ALDH1A1GPBAR1BACE1BACE2
SCHEMBL23369279 0.86 HTT (0.34) ALDH1A1GPBAR1BACE1BACE2
SCHEMBL15791276 0.85 CYP2C19 (0.36) ALDH1A1GPBAR1
SCHEMBL21126773 0.85 GPBAR1 (0.31) ALDH1A1GPBAR1BACE1BACE2
SCHEMBL24952144 0.85 GPBAR1 (0.31) ALDH1A1GPBAR1BACE1BACE2
SCHEMBL19245754 0.85 GPBAR1 (0.31) ALDH1A1GPBAR1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302570-B1 TRIMALEIMIDE LINKERS AND USES THEREOF NEWBIO THERAPEUTICS INC (CN) 2021-03-31 EP disclosed
US-10919969-B2 Anti-CD123 antibodies and conjugates and derivatives thereof IMMUNOGEN, INC. (US) 2021-02-16 US disclosed
US-20180079819-A1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN, INC. 2018-03-22 US disclosed
US-20170165373-A1 BCMA ANTIGEN BINDING PROTEINS AMGEN INC. (US) 2017-06-15 US disclosed
US-9669102-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-06-06 US disclosed
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2016-03-24 US disclosed
WO-2016036801-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2016-03-10 WO disclosed
US-9243058-B2 BCMA antigen binding proteins AMGEN, INC. (US) 2016-01-26 US disclosed
US-20150344583-A1 BCMA ANTIGEN BINDING PROTEINS AMGEN INC. 2015-12-03 US disclosed
US-20140161828-A1 BCMA ANTIGEN BINDING PROTEINS AMGEN INC. (US) 2014-06-12 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 (6 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-20170165373-A1 BCMA ANTIGEN BINDING PROTEINS CD79B, BCR, BCDIN3D ALDH1A1 4500/4885GPBAR1 684/4885BACE1 3075/4885
US-20180079819-A1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IL23R, CD22, IL2RA ALDH1A1 1167/4885GPBAR1 971/4885BACE1 3249/4885
US-20150344583-A1 BCMA ANTIGEN BINDING PROTEINS CD79B, BCR, BCAP31 ALDH1A1 4561/4885GPBAR1 796/4885BACE1 3183/4885
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885GPBAR1 213/4885BACE1 2259/4885
US-20140161828-A1 BCMA ANTIGEN BINDING PROTEINS CD79B, BCR, BCDIN3D ALDH1A1 4500/4885GPBAR1 684/4885BACE1 3075/4885
US-10919969-B2 Anti-CD123 antibodies and conjugates and derivatives thereof IL23R, CD22, IL2RA ALDH1A1 1167/4885GPBAR1 971/4885BACE1 3249/4885

“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.