SCHEMBL6489458

SCHEMBL6489458

Cc1c(C(C)C)nn2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.58
PDE5A O76074 6/20 0.58
PDE3A Q14432 4/20 0.58
MIF P14174 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
PDE4A P27815 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
CYP2C19 P33261 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
PDE3B Q13370 1/20 0.58

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
SCHEMBL14788381 0.81 PDE4B (0.58) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL10811958 0.81 PDE4B (0.58) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL20654243 0.81 MIF (0.43) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL6490727 0.80 PDE5A (0.44) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL3205600 0.80 PDE4B (0.56) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL6489453 0.80 PDE4B (0.56) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL9485279 0.79 PDE4B (0.55) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL23382642 0.77 PDE4B (0.54) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL22792400 0.77 PDE4B (0.54) PDE4BPDE5APDE3AMIFMEN1
SCHEMBL35212350 0.77 PDE4B (0.40) PDE4BPDE5APDE3AMIFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037339-B2 Substituted imidazoles as GLP-1 receptor agonists ECCOGENE INC. (US) 2024-07-16 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3652168-B1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-06-30 EP disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-02-20 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 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 (10 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PDE4B 2048/4885PDE5A 2466/4885PDE3A 2261/4885
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PDE4B 2048/4885PDE5A 2466/4885PDE3A 2261/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 PDE4B 2048/4885PDE5A 2466/4885PDE3A 2261/4885
US-12037339-B2 Substituted imidazoles as GLP-1 receptor agonists GLP1R, GIPR, SLC5A1 PDE4B 971/4885PDE5A 449/4885PDE3A 259/4885
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PDE4B 2048/4885PDE5A 2466/4885PDE3A 2261/4885
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock MYLK, ROCK1, ROCK2 PDE4B 158/4885PDE5A 20/4885PDE3A 31/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PDE4B 2029/4885PDE5A 2452/4885PDE3A 2257/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PDE4B 2048/4885PDE5A 2466/4885PDE3A 2261/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 PDE4B 2024/4885PDE5A 262/4885PDE3A 334/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PDE4B 2065/4885PDE5A 2455/4885PDE3A 2253/4885

“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.