SCHEMBL6174994

SCHEMBL6174994

COc1ccc(OCC(C)(C)N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
APP P05067 4/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL777299 0.83 TDP1 (0.56) TDP1MAPK1MAOBALDH1A1CYP3A4
SCHEMBL12250930 0.82 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL6174449 0.81 SLC6A2 (0.50) MAOBCYP3A4NPC1RAB9AAPP
Hydrochloric Acid SCHEMBL2960337 0.81 TDP1 (0.54) TDP1MAPK1MAOBALDH1A1CYP3A4
SCHEMBL16014765 0.81 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL16025277 0.81 NQO1 (0.36) TDP1MAOBALDH1A1CYP3A4RAB9A
SCHEMBL7877126 0.81 MAOB (0.44) TDP1MAOBRAB9AAPP
Hydrochloric Acid SCHEMBL775512 0.81 TDP1 (0.54) TDP1MAPK1MAOBALDH1A1CYP3A4
SCHEMBL10565113 0.81 LTA4H (0.48) CYP3A4APPMEN1KMT2A
SCHEMBL7868612 0.80 TAAR1 (0.46) ALDH1A1SMN1; SMN2TAAR1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556373-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2005-07-27 EP disclosed
WO-2004035566-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-04-29 WO disclosed
US-20040077650-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-04-22 US disclosed
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 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 (1 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-20040077650-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CA12 3618/4885CA1 3392/4885CA2 3266/4885

“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.