SCHEMBL18367198

SCHEMBL18367198

C=CCC1(C(=O)OCC)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ATM Q13315 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 1/20 0.32
F10 P00742 1/20 0.31
CYP3A4 P08684 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
SCHEMBL18367201 0.85 TSHR (0.39) TSHRATMKMT2AMEN1RECQL
SCHEMBL8615805 0.85 MEN1 (0.40) ATMKMT2AMEN1RAB9ANPSR1
SCHEMBL21767494 0.84 MEN1 (0.38) TSHRATMKMT2AMEN1RECQL
SCHEMBL2472218 0.83 CYP2C19 (0.36) TSHRKMT2AMEN1RECQLNPSR1
SCHEMBL9797061 0.83 MEN1 (0.40) ATMKMT2AMEN1RAB9ANPSR1
SCHEMBL12346144 0.83 ALDH1A1 (0.38) ATMKMT2AMEN1RAB9ANPC1
SCHEMBL20564117 0.81 TSHR (0.47) TSHRATMKMT2AMEN1RECQL
SCHEMBL1684321 0.81 OPRM1 (0.46) ATMKMT2AMEN1RAB9AMAPT
SCHEMBL6782433 0.80 TSHR (0.42) TSHRATMKMT2AMEN1RECQL
SCHEMBL17443947 0.79 USP2 (0.36) RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 CN disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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 (1 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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 TSHR 3154/4885ATM 4065/4885KMT2A 3390/4885

“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.