SCHEMBL5657414

SCHEMBL5657414

CCCn1cnc(C)c1CO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 1/20 0.38
PDE4A P27815 6/20 0.35
PDE4B Q07343 6/20 0.35
PDE4C Q08493 6/20 0.35
PDE4D Q08499 6/20 0.35
LMNA P02545 2/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL859654 0.84 FDPS (0.35) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL24168410 0.84 ADORA2A (0.40) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL22670134 0.81 ADORA2A (0.38) ADORA2AADORA2BADORA1PDE4APDE4B
Hydrochloric Acid SCHEMBL3460642 0.79 ADORA2A (0.37) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL31332871 0.76 MEN1 (0.33) FDPS
SCHEMBL2397441 0.75
SCHEMBL20011271 0.75 FDPS (0.44) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL5655389 0.73 ADORA2A (0.38) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL3582673 0.70 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL24754560 0.69 LMNA (0.47) ADORA2AADORA2BPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3747881-B1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-08-23 EP disclosed
EP-3747881-B1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-08-23 EP disclosed
CN-111630047-B Benzazepine compounds containing carboxylic acid groups, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-23 CN disclosed
US-11292785-B2 Nitrogen-containing benzoheterocycle compound comprising carboxylic acid group, preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-04-05 US disclosed
US-11292785-B2 Nitrogen-containing benzoheterocycle compound comprising carboxylic acid group, preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-04-05 US disclosed
EP-3567028-B1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST MEDSHINE DISCOVERY INC (CN) 2022-01-05 EP disclosed
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist MEDSHINE DISCOVERY, INC. (CN) 2021-10-26 US disclosed
EP-3747881-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-12-09 EP disclosed
EP-3747881-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-12-09 EP disclosed
US-20200361911-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-11-19 US disclosed
US-20200361911-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-11-19 US disclosed
CN-111630047-A Benzoazaheterocycle compound containing carboxylic acid group and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-09-04 CN disclosed
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist MEDSHINE DISCOVERY, INC. (CN) 2020-07-16 US disclosed
EP-3567028-A1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
WO-2019149089-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-08-08 WO disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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 (5 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-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist CCR2, CCR5, CCRL2 ADORA2A 410/4885ADORA2B 330/4885ADORA1 700/4885
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist CCR2, CCR5, CCRL2 ADORA2A 410/4885ADORA2B 330/4885ADORA1 700/4885
US-20200361911-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF CCR2, CCR5, CCR1 ADORA2A 1705/4885ADORA2B 1862/4885ADORA1 1788/4885
US-11292785-B2 Nitrogen-containing benzoheterocycle compound comprising carboxylic acid group, preparation method and use thereof CCR2, CCR5, CCR1 ADORA2A 1705/4885ADORA2B 1862/4885ADORA1 1788/4885
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 ADORA2A 546/4885ADORA2B 474/4885ADORA1 281/4885

“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.