SCHEMBL3749658

SCHEMBL3749658

CN(C)Cc1ccccc1-c1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.42
CYP2D6 P10635 12/20 0.42
CYP3A4 P08684 8/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
LMNA P02545 2/20 0.38
SLC6A3 Q01959 2/20 0.37
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL982139 0.79 MGLL (0.37) CYP2D6ALDH1A1MAPTLMNA
SCHEMBL8010806 0.79 HSPA5 (0.34)
SCHEMBL983253 0.76 NR1H2 (0.34)
SCHEMBL6015094 0.76 PDCD1 (0.40)
SCHEMBL811836 0.76
SCHEMBL27474302 0.76 DPP4 (0.50)
SCHEMBL10500036 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL4757373 0.75 LTA4H (0.47) CYP3A4ALDH1A1KDM4EMAPTSLC6A2
SCHEMBL8471081 0.75 PDK2 (0.37) ALDH1A1TSHR
SCHEMBL3281815 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CYP1A2 2342/4885CYP2D6 1700/4885CYP3A4 2138/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 CYP1A2 1102/4885CYP2D6 658/4885CYP3A4 1607/4885

“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.