SCHEMBL6620005

SCHEMBL6620005

COc1cc(C)ccc1-c1cccc(-c2cc(C)[nH]c2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
CRHR1 P34998 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
KCNH2 Q12809 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 1/20 0.35
NOS1 P29475 4/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ALOX5 P09917 1/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6622613 0.80 MAP3K5 (0.38) MAPTPOLBMEN1KMT2AHSD17B10
SCHEMBL12270031 0.79 CCR1 (0.48) ACHECRHR1RPS6KA2KCNH2HSP90AA1
SCHEMBL6618823 0.77 NOS1 (0.56) ACHERPS6KA2HSP90AA1HSP90AB1NOS1
SCHEMBL8122697 0.74 CCR1 (0.54) NOS3NPC1RAB9A
SCHEMBL5833033 0.72 KDM4E (0.34) CYP1A2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL6620007 0.72 ACHE (0.42) ACHERPS6KA2KCNH2NOS1MAPT
SCHEMBL6584801 0.71 AR (0.34)
SCHEMBL17145021 0.71 CYP1A1 (0.62) MAPTTP53POLBMEN1KMT2A
SCHEMBL5833744 0.70 HTR1B (0.43) CYP1A2
SCHEMBL5833265 0.70 IDO1 (0.37) MAPTPOLBMEN1KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 ACHE 20/4885CRHR1 1700/4885RPS6KA2 1568/4885

“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.