SCHEMBL20022608

SCHEMBL20022608

COC(=O)c1ccn2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALOX12 P18054 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL16412280 0.95 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EHPGDHSD17B10
1-Hexanol SCHEMBL27843332 0.85 KMT2A (0.36) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL21809815 0.83 PDE3B (0.47) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL15152236 0.79 KMT2A (0.36) ALDH1A1KMT2AKDM4E
SCHEMBL22017718 0.78 LMNA (0.44) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL15152326 0.77 NPC1 (0.39) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL21570172 0.76 CHRM3 (0.41) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL16416280 0.75 GAA (0.39) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7764747 0.75 MAPK1 (0.50) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL15157248 0.74 FABP4 (0.38) TSHR

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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2022-09-22 US disclosed
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-30 US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
EP-3807246-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-21 EP disclosed
EP-3805223-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-04-14 EP disclosed
CN-112585118-A Hepatitis b capsid assembly modulators 维纳拓尔斯制药公司 2021-03-30 CN disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 US disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 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-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ALDH1A1 4265/4885KMT2A 1470/4885KDM4E 1273/4885
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KMT2A 4016/4885KDM4E 3751/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KMT2A 4016/4885KDM4E 3751/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KMT2A 4016/4885KDM4E 3751/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KMT2A 4016/4885KDM4E 3751/4885
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KMT2A 4016/4885KDM4E 3751/4885
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF DPYD, EIF2AK2, INF2 ALDH1A1 2381/4885KMT2A 1796/4885KDM4E 3079/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KMT2A 4016/4885KDM4E 3751/4885

“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.