SCHEMBL5658471

SCHEMBL5658471

O=c1cccc2n1CCc1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 2/20 0.40
BCAT2 O15382 2/20 0.40
CYP2A6 P11509 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GPR84 Q9NQS5 2/20 0.40
HTR2A P28223 3/20 0.38
HTR2B P41595 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD4 P21917 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
SCHEMBL10361722 0.77 GPR84 (0.44) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18174042 0.77 GPR84 (0.42) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2736494 0.76 CES1 (0.41) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL15051172 0.75 GPR84 (0.48) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29783301 0.75 GPR84 (0.48) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9336210 0.73 KDM4E (0.47) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18173998 0.73 GPR84 (0.45) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL30585052 0.73 GPR84 (0.45) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL215395 0.71 SERPINE1 (0.39) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2736495 0.71 ALDH1A1 (0.45) RAB9AMAPTSMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241068-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2023-08-03 US claimed
EP-4186507-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2023-05-31 EP claimed
EP-3710004-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THE TREATMENT OF FIBROTIC DISEASES Galapagos NV (BE) 2020-09-23 EP claimed
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 US claimed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US claimed
US-20230241068-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2023-08-03 US disclosed
EP-4186507-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2023-05-31 EP disclosed
WO-2015197550-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-12-30 WO disclosed
US-7166593-B2 Glucocorticoid receptor modulators PFIZER, INC. (US) 2007-01-23 US disclosed
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 US disclosed
US-6699893-B2 DIETETICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATROY AGENTS PFIZER INC 2004-03-02 US disclosed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US disclosed
US-6380223-B1 FOR THERAPY OF DISEASES, SUCH AS OBESITY, DIABETES, INFLAMMATION PFIZER INC. 2002-04-30 US disclosed
EP-1175383-A1 GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 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 (3 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-20040176595-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R CES1 747/4885NPC1 1677/4885RAB9A 4238/4885
US-20230241068-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THE TREATMENT OF FIBROTIC DISEASES GPR84, GPR65, GPR88 CES1 953/4885NPC1 635/4885RAB9A 2171/4885
US-20020147336-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R CES1 731/4885NPC1 1635/4885RAB9A 4211/4885

“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.