SCHEMBL14210643

SCHEMBL14210643

CC[C@H]1CCCN(C(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.36
CCR2 P41597 1/20 0.36
CYP2D6 P10635 7/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
GHSR Q92847 6/20 0.34
KAT2B Q92831 1/20 0.32
KDM2B Q8NHM5 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
SCHEMBL16376634 1.00 KCNH2 (0.36) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL9926452 1.00 KCNH2 (0.36) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL16376638 0.94 CHRM5 (0.34) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL18844639 0.94 CHRM5 (0.34) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL2737413 0.87 HRH3 (0.38) KCNH2
SCHEMBL2737395 0.87 HRH3 (0.38) KCNH2
SCHEMBL11997995 0.87 HRH3 (0.38) KCNH2
SCHEMBL20942482 0.84 KCNH2 (0.35) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL18270438 0.84 KCNH2 (0.35) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL16376644 0.83 HRH3 (0.39) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
EP-3544971-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA FARBER CANCER INST INC (US) 2022-07-06 EP disclosed
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2022-06-14 US disclosed
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-19 US disclosed
US-20210317105-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 US disclosed
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-10 US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20200361906-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 US disclosed
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-09-08 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 US disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 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 (12 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK KCNH2 3440/4885CCR2 1477/4885CYP2D6 3456/4885
US-20210317105-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 KCNH2 3213/4885CCR2 717/4885CYP2D6 901/4885
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX KCNH2 4654/4885CCR2 3212/4885CYP2D6 1111/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS KCNH2 3146/4885CCR2 3031/4885CYP2D6 1699/4885
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX KCNH2 4654/4885CCR2 3212/4885CYP2D6 1111/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 KCNH2 4663/4885CCR2 706/4885CYP2D6 4337/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS KCNH2 3146/4885CCR2 3031/4885CYP2D6 1699/4885
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof CDK12, CDK1, CDK13 KCNH2 3213/4885CCR2 717/4885CYP2D6 901/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS KCNH2 4389/4885CCR2 3604/4885CYP2D6 279/4885
US-20200361906-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 KCNH2 3213/4885CCR2 717/4885CYP2D6 901/4885
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX KCNH2 4654/4885CCR2 3212/4885CYP2D6 1111/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX KCNH2 4654/4885CCR2 3212/4885CYP2D6 1111/4885

“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.