SCHEMBL6620007

SCHEMBL6620007

COc1cc(C)ccc1-c1cccc(-n2c(C)ccc2C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOS1 P29475 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6588366 0.86 ESR1 (0.43) ALDH1A1TSHRHSD17B10NOS1CYP1A1
SCHEMBL6621911 0.80 MEN1 (0.45) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL6622616 0.80 MAP3K5 (0.38) HSD17B10MAPT
SCHEMBL12270031 0.79 CCR1 (0.48) ACHEALDH1A1TSHRHSD17B10NOS1
SCHEMBL8474944 0.79 NOS1 (0.39) ALDH1A1NOS1MAPTGAALMNA
SCHEMBL6581790 0.79 MAOB (0.44) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL8275704 0.78 ALDH1A1 (0.42) ALDH1A1TSHRNOS1MAPTGAA
SCHEMBL8275696 0.77 NOS1 (0.67) ALDH1A1NOS1MEN1KMT2A
SCHEMBL6618823 0.77 NOS1 (0.56) ACHEALDH1A1NOS1CYP1A1CYP1B1
SCHEMBL5775067 0.76 NOS1 (0.45) NOS1MEN1KMT2AMAPTGAA

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 20/4885ALDH1A1 1322/4885TSHR 2248/4885

“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.