SCHEMBL4381016

SCHEMBL4381016

Cc1cccc(C(CN)c2cccc(C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.56
HTR2A P28223 2/20 0.56
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
AOC3 Q16853 1/20 0.46
ACHE P22303 1/20 0.46
ACP3 P15309 1/20 0.46
CYP19A1 P11511 3/20 0.45
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL3910832 0.96 TAAR1 (0.64) TAAR1HTR2ACHRNB2CHRNA4AOC3
SCHEMBL3911314 0.89 HTR2A (0.45) TAAR1HTR2ACHRNB2CHRNA4AOC3
SCHEMBL3901190 0.85 CYP19A1 (0.46) TAAR1HTR2ACYP19A1SLC6A2SLC6A4
SCHEMBL11081188 0.83 AOC3 (0.46) TAAR1HTR2AAOC3ACHEACP3
SCHEMBL4172490 0.81 TAAR1 (0.59) TAAR1HTR2AAOC3ACHEACP3
SCHEMBL4277230 0.81 AOC3 (0.45) TAAR1HTR2AAOC3ACHEACP3
SCHEMBL6703971 0.80 HRH1 (0.67) TAAR1HTR2AAOC3ACP3CYP19A1
SCHEMBL15063797 0.80 ACHE (0.48) TAAR1AOC3ACHEACP3CYP19A1
SCHEMBL3904458 0.80 SLC6A2 (0.47) TAAR1HTR2AACP3CYP19A1SLC6A2
SCHEMBL24454254 0.79 PNMT (0.56) TAAR1AOC3ACHEACP3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
US-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US disclosed
US-20040229838-A1 Purine derivatives PFIZER INC 2004-11-18 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US disclosed
EP-1296996-A1 PURINE DERIVATIVES Pfizer Limited (GB) 2003-04-02 EP disclosed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2002000676-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-01-03 WO disclosed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 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 (5 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-20040229838-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 TAAR1 92/4885HTR2A 74/4885CHRNB2 1078/4885
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 TAAR1 2569/4885HTR2A 381/4885CHRNB2 3479/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 TAAR1 2338/4885HTR2A 463/4885CHRNB2 3447/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 TAAR1 92/4885HTR2A 74/4885CHRNB2 1078/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 TAAR1 1931/4885HTR2A 531/4885CHRNB2 3410/4885

“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.