SCHEMBL370808

SCHEMBL370808

CN1CCN(c2ccc3c(c2)CNC3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.59
HTR3A P46098 1/20 0.51
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
PTK2B Q14289 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 2/20 0.49
ADRA2C P18825 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GFER P55789 1/20 0.48
ESR2 Q92731 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TMEM97 Q5BJF2 1/20 0.43

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
Hydrochloric Acid SCHEMBL382946 0.98 ASIC3 (0.57) ASIC3HTR3AKDM4EGAAMAPT
SCHEMBL21800282 0.86 ASIC3 (0.69) ASIC3HTR3AKDM4EGAAMAPT
SCHEMBL21800281 0.86 ASIC3 (0.78) ASIC3HTR3AKDM4EGAAMAPT
Trifluoroacetic Acid SCHEMBL20983776 0.85 ASIC3 (0.47) ASIC3HTR3AADRA2CNPC1RAB9A
SCHEMBL38652796 0.85 ASIC3 (0.43) ASIC3HTR3AGAAMAPTMAPK1
SCHEMBL3878501 0.85 ACHE (0.45) ASIC3KDM4EGAAMAPTMAPK1
SCHEMBL10269534 0.85 VCP (0.48) ASIC3HTR3AKMT2AALDH1A1
SCHEMBL28387869 0.84 ASIC3 (0.43) ASIC3HTR3AKDM4EGAAMAPT
SCHEMBL31070563 0.83 ALDH1A1 (0.46) ASIC3KDM4EGAAMAPTMAPK1
SCHEMBL30180170 0.83 ALDH1A1 (0.46) ASIC3KDM4EGAAMAPTMAPK1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2022-09-08 US disclosed
CN-114502163-A Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors 安吉昂生物医药公司 2022-05-13 CN disclosed
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-09-09 US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
CN-1889970-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC (US) 2007-01-03 CN disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ASIC3 3646/4885HTR3A 971/4885KDM4E 3451/4885
US-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, CIT ASIC3 3535/4885HTR3A 1916/4885KDM4E 2774/4885
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 ASIC3 2522/4885HTR3A 2681/4885KDM4E 1323/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ASIC3 3645/4885HTR3A 971/4885KDM4E 3464/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 ASIC3 2522/4885HTR3A 2681/4885KDM4E 1323/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 ASIC3 2522/4885HTR3A 2681/4885KDM4E 1323/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 ASIC3 2522/4885HTR3A 2681/4885KDM4E 1323/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 ASIC3 4592/4885HTR3A 4543/4885KDM4E 616/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 ASIC3 2522/4885HTR3A 2681/4885KDM4E 1323/4885

“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.