SCHEMBL5284524

SCHEMBL5284524

CC(c1ccccc1)C(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TAAR1 Q96RJ0 3/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
ALOX5 P09917 1/20 0.38
KIF11 P52732 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
Hydrochloric Acid SCHEMBL5087108 0.98 CYP1A2 (0.42) KCNN4CYP1A2CYP2D6TAAR1ADRA2A
Water SCHEMBL11129746 0.98 CYP1A2 (0.42) KCNN4CYP1A2CYP2D6TAAR1ADRA2A
Iodide SCHEMBL5091725 0.98 CYP1A2 (0.42) KCNN4CYP1A2CYP2D6TAAR1ADRA2A
Bromide SCHEMBL5088285 0.98 CYP1A2 (0.42) KCNN4CYP1A2CYP2D6TAAR1ADRA2A
SCHEMBL114846 0.82 KCNN4 (0.44) KCNN4CYP1A2CYP2D6TAAR1ADRA2A
SCHEMBL10435748 0.82 TRPM8 (0.43) ALDH1A1KIF11
SCHEMBL14944876 0.80 CYP1A2 (0.42) KCNN4CYP1A2CYP2D6TAAR1ADRA2A
SCHEMBL6741619 0.78 TAAR1 (0.41) KCNN4CYP1A2CYP2D6TAAR1ADRA2A
SCHEMBL10435750 0.77 ALOX5 (0.54) CYP1A2LMNAHIF1AALOX5
SCHEMBL114847 0.76 KCNN4 (0.48) KCNN4CYP1A2CYP2D6TAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed
US-7141674-B2 Anti-inflammatory compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-28 US disclosed
EP-1201649-B1 Glucocorticoid receptor modulators PFIZER PROD INC (US) 2006-05-31 EP disclosed
EP-1201660-B1 Glucocorticoid receptor modulators PFIZER PROD INC (US) 2005-08-31 EP disclosed
US-6852719-B2 Dietetics; antidiabetic agents; antiinflammatory agents PFIZER INC. (US) 2005-02-08 US disclosed
US-20040014741-A1 Glucocorticoid receptor modulators LIU KEVIN K (US) 2004-01-22 US disclosed
US-6509369-B2 Triphenylpropanamide compounds; useful in treating inflammations but which do not demonstrate side effects associated with other anti-inflammatory treatments such as glucocorticoids ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-21 US disclosed
US-20020107235-A1 Glucocorticoid receptor modulators LIU KEVIN K (US) 2002-08-08 US disclosed
EP-1201649-A1 Glucocorticoid receptor modulators Pfizer Products Inc. (US) 2002-05-02 EP disclosed
EP-1201660-A1 Glucocorticoid receptor modulators Pfizer Products Inc. (US) 2002-05-02 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 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 (2 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-20040014741-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R KCNN4 4196/4885CYP1A2 217/4885CYP2D6 400/4885
US-20020107235-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R KCNN4 4173/4885CYP1A2 214/4885CYP2D6 404/4885

“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.