SCHEMBL81827

SCHEMBL81827

CCNc1ccc(C)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.55
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 6/20 0.51
ADRA2A P08913 5/20 0.51
ADRA2B P18089 5/20 0.51
ADRA2C P18825 5/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
PIK3CD O00329 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL6645913 0.84 MAPT (0.53) HCAR3MAPTRAB9AKDM4EADRA2A
SCHEMBL26846315 0.84 PIK3CG (0.50) HCAR3MAPTRAB9AKDM4EADRA2A
SCHEMBL10293613 0.83 HCAR3 (0.57) HCAR3MAPTRAB9AKDM4EADRA2A
SCHEMBL23182690 0.81 RAB9A (0.50) MAPTRAB9AKDM4EADRA2AADRA2B
SCHEMBL20613270 0.81 RAB9A (0.50) MAPTRAB9AKDM4EADRA2AADRA2B
SCHEMBL14985165 0.81 RAB9A (0.55) MAPTRAB9AKDM4EADRA2AADRA2B
SCHEMBL10604098 0.80 HCAR3 (0.59) HCAR3MAPTRAB9AKDM4EADRA2A
Bromide SCHEMBL10609035 0.79 HCAR3 (0.58) HCAR3MAPTRAB9AKDM4EADRA2A
SCHEMBL22607265 0.78 RAB9A (0.47) MAPTRAB9AKDM4EADRA2AADRA2B
SCHEMBL12327200 0.78 HCAR3 (0.58) HCAR3MAPTRAB9AKDM4EADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
WO-2023064584-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
WO-2021055749-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. (US) 2021-03-25 WO disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
EP-3169687-B1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS ADVENCHEN PHARMACEUTICALS NANJING LTD (CN) 2019-01-02 EP disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20070197619-A1 Ion Channel Modulators WYETH 2007-08-23 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US disclosed
US-7186727-B2 Pyridyl-substituted spiro-hydantoin compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-06 US disclosed
WO-2005097112-A2 ION CHANNEL MODULATORS WYETH (US) 2005-10-20 WO disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 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 (7 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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 HCAR3 93/4885MAPT 4515/4885RAB9A 2666/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 HCAR3 4192/4885MAPT 2665/4885RAB9A 1091/4885
US-20070197619-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 HCAR3 366/4885MAPT 490/4885RAB9A 1595/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 HCAR3 150/4885MAPT 2827/4885RAB9A 1354/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HCAR3 3391/4885MAPT 3418/4885RAB9A 701/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A HCAR3 82/4885MAPT 4850/4885RAB9A 2745/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 HCAR3 870/4885MAPT 4883/4885RAB9A 888/4885

“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.