SCHEMBL9921656

SCHEMBL9921656

CNC(=O)[C@H]1CCCCN1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
BCHE P06276 1/20 0.36
PARP1 P09874 1/20 0.36
KCNK3 O14649 1/20 0.36
LMNA P02545 1/20 0.36
MMP1 P03956 3/20 0.36
MMP13 P45452 3/20 0.36
ADAM17 P78536 3/20 0.36
MMP3 P08254 2/20 0.36
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL12443460 1.00 CYP3A4 (0.47) CYP3A4CYP2D6BCHEPARP1KCNK3
SCHEMBL26287093 1.00 CYP3A4 (0.47) CYP3A4CYP2D6BCHEPARP1KCNK3
SCHEMBL18800228 0.98 CYP3A4 (0.46) CYP3A4CYP2D6BCHEPARP1KCNK3
SCHEMBL31734262 0.98 CYP3A4 (0.46) CYP3A4CYP2D6BCHEPARP1KCNK3
SCHEMBL490080 0.94 CYP3A4 (0.53) CYP3A4CYP2D6BCHEPARP1MMP3
SCHEMBL172515 0.94 CYP3A4 (0.53) CYP3A4CYP2D6BCHEPARP1MMP3
SCHEMBL9020148 0.94 CYP3A4 (0.53) CYP3A4CYP2D6BCHEPARP1MMP3
Hydrochloric Acid SCHEMBL490045 0.92 CYP3A4 (0.51) CYP3A4CYP2D6BCHEPARP1MMP3
SCHEMBL29865289 0.85
SCHEMBL15374826 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 US disclosed
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-09-26 US disclosed
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023173017-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
US-20210353777-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-11-18 US disclosed
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-07 US disclosed
US-20210154311-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2021-05-27 US disclosed
EP-3261443-B1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIV RICE WILLIAM M (US) 2021-04-28 EP disclosed
US-10912840-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2021-02-09 US disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170362259-A1 PROCESS AND INTERMEDIATES FOR MAKING TUBULYSIN ANALOGS BRISTOL-MYERS SQUIBB COMPANY 2017-12-21 US disclosed
US-9662402-B2 Drug delivery conjugates containing unnatural amino acids and methods for using ENDOCYTE, INC. (US) 2017-05-30 US disclosed
WO-2017053619-A1 GLYPICAN-3BINDING FIBRONECTIN BASED SCAFFLOLD MOLECULES BRISTROL-MYERS SQUIBB COMPANY (US) 2017-03-30 WO disclosed
EP-2956173-B1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
WO-2017031209-A1 TUBULYSIN ANALOGS AND METHODS ENDOCYTE, INC. (US) 2017-02-23 WO disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 EP disclosed
WO-2012019123-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE, INC. (US) 2012-02-09 WO 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 (9 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-20210353777-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH CYP3A4 2674/4885CYP2D6 2322/4885BCHE 1261/4885
US-20210154311-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CYP3A4 4580/4885CYP2D6 4311/4885BCHE 1049/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CYP3A4 1679/4885CYP2D6 608/4885BCHE 675/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CYP3A4 1679/4885CYP2D6 608/4885BCHE 675/4885
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 CYP3A4 4701/4885CYP2D6 3788/4885BCHE 2582/4885
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS CD2BP2, DCLRE1A, EPCAM CYP3A4 4259/4885CYP2D6 3324/4885BCHE 2629/4885
US-10912840-B2 Conjugates for treating diseases caused by PSMA expressing cells FOLH1, KLK3, CD47 CYP3A4 4580/4885CYP2D6 4311/4885BCHE 1049/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 CYP3A4 4730/4885CYP2D6 4184/4885BCHE 1237/4885
US-20170362259-A1 PROCESS AND INTERMEDIATES FOR MAKING TUBULYSIN ANALOGS NGLY1, TEK, MAN2B2 CYP3A4 3394/4885CYP2D6 3894/4885BCHE 1591/4885

“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.