SCHEMBL3533675

SCHEMBL3533675

Cc1ccc(C2CCC(=O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.64
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SLC18A3 Q16572 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SRD5A1 P18405 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14403055 0.89 ESR2 (0.78) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL18251909 0.88 ESR2 (0.52) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7004274 0.88 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL735604 0.88 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7004062 0.88 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL10348022 0.82 ESR2 (0.69) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL1405569 0.81 ESR2 (0.50) ESR2MAP1LC3BALDH1A1SMN1; SMN2MAPT
SCHEMBL3543026 0.80 ALDH1A1 (0.55) ESR2ALDH1A1SMN1; SMN2MAPTATM
SCHEMBL20011125 0.78 ALDH1A1 (0.42) ESR2MAP1LC3BALDH1A1SMN1; SMN2MAPT
SCHEMBL3536658 0.78 ESR2 (0.64) ESR2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
WO-2021255212-A1 BRAF DEGRADERS F. HOFFMANN-LA ROCHE AG (CH) 2021-12-23 WO disclosed
EP-3426654-B1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION HARVARD COLLEGE (US) 2021-10-20 EP disclosed
CN-112811995-A Synthesis method of 4-substituent cyclohexanone liquid crystal intermediate 惠泽化学科技(濮阳)有限公司 2021-05-18 CN disclosed
CN-108474885-B Near-infrared absorbing composition for solid-state imaging element, filter, and solid-state imaging element 东洋油墨SC控股株式会社 2021-04-13 CN disclosed
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
US-10858519-B2 Near-infrared absorbing composition for solid-state imaging device and filter TOYO INK SC HOLDINGS CO., LTD. (JP) 2020-12-08 US disclosed
CN-111712490-A Amino-substituted pyridone derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-09-25 CN disclosed
US-20180319989-A1 NEAR-INFRARED ABSORBING COMPOSITION FOR SOLID-STATE IMAGING DEVICE AND FILTER TOYO INK SC HOLDINGS CO., LTD. (JP) 2018-11-08 US disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity CHEN LI (US) 2003-12-11 US disclosed
US-6600015-B2 Treatment or prevention of obesity. HOFFMANN-LA ROCHE INC. 2003-07-29 US disclosed
EP-1315750-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
EP-1272516-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-08 EP disclosed
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity CHEN LI (US) 2002-10-03 US disclosed
WO-2002018437-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity HOFFMANN-LA ROCHE INC. 2001-12-27 US disclosed
WO-2001074844-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2001-10-11 WO disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 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 (4 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-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R ESR2 1272/4885PDE4A 511/4885PDE4B 710/4885
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases IDO1, TPH1, IDO2 ESR2 4151/4885PDE4A 757/4885PDE4B 1001/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R ESR2 759/4885PDE4A 825/4885PDE4B 834/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R ESR2 1169/4885PDE4A 409/4885PDE4B 497/4885

“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.