SCHEMBL3054224

SCHEMBL3054224

N#Cc1ccc(NCC2CC2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.52
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ LIPC P11150 1/20 0.45
▸ LIPG Q9Y5X9 1/20 0.45
▸ PRKCQ Q04759 3/20 0.42
▸ PRKCD Q05655 3/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.41
▸ AR P10275 5/20 0.41
▸ IDH1 O75874 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ EGLN2 Q96KS0 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
SCHEMBL5881677 0.78 KDM4E (0.53) CNR2LIPCLIPGPRKCQJAK2
SCHEMBL4243128 0.75 KDM4E (0.42) CNR2PRKCQJAK2JAK1TYK2
SCHEMBL13029966 0.74 PDE3B (0.46) CNR2PDE3BPDE3ALIPCLIPG
SCHEMBL17654722 0.74 TRPV4 (0.43) CNR2TRPV4AR
SCHEMBL6939525 0.73 TRPV4 (0.49) CNR2TRPV4ARSLC22A12
SCHEMBL9228697 0.73 TRPV4 (0.49) PDE3BPDE3ATRPV4ARSLC22A12
SCHEMBL4399784 0.73 CHEK1 (0.44) PDE3BPDE3ATRPV4ARCHEK1
SCHEMBL5881547 0.72 KAT2B (0.60) —
SCHEMBL4464361 0.71 KDM4E (0.49) JAK2JAK1TYK2EGLN2
SCHEMBL3059872 0.71 CNR2 (0.62) CNR2ARIDH1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 — — US claimed
US-7834063-B2 4-[(Cyclopropylmethyl)(2-{[4-(1,1-dimethylethyl)phenyl]oxy}ethyl)amino]-2-(trifluoromethyl)benzonitrile; modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors; osteoporosis, muscle wasting,endometriosis, cardiovascular disease; breast, uterine cancer, prostatic hyperplasia GLAXOSMITHKLINE LLC (US) 2010-11-16 — — US disclosed
US-7834063-B2 4-[(Cyclopropylmethyl)(2-{[4-(1,1-dimethylethyl)phenyl]oxy}ethyl)amino]-2-(trifluoromethyl)benzonitrile; modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors; osteoporosis, muscle wasting,endometriosis, cardiovascular disease; breast, uterine cancer, prostatic hyperplasia GLAXOSMITHKLINE LLC (US) 2010-11-16 — — US disclosed
US-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-02 — — US disclosed
EP-2210603-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE ACCUMULATION OF AMYLOID- B PROTEIN Sumitomo Chemical Company, Limited (JP) 2010-07-28 — — EP disclosed
US-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 — — US disclosed
US-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 — — US disclosed
EP-1809275-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-25 — — EP disclosed
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 — — US disclosed
EP-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 — — EP disclosed
WO-2006044707-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 — — WO disclosed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 — — 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-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION APP, PSEN1, BACE1 CNR2 4222/4885PDE3B 999/4885PDE3A 1172/4885
US-20080255124-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 CNR2 528/4885PDE3B 546/4885PDE3A 652/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 CNR2 477/4885PDE3B 503/4885PDE3A 587/4885

“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.

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