SCHEMBL4372177

SCHEMBL4372177

CC(C)N(CCN)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
PRMT8 Q9NR22 1/20 0.58
SIGMAR1 Q99720 2/20 0.47
AOC3 Q16853 2/20 0.45
ACKR3 P25106 1/20 0.44
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR2A P28223 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1A P35348 2/20 0.43
KCNH2 Q12809 2/20 0.43
OPRK1 P41145 2/20 0.43
SLC6A4 P31645 2/20 0.43

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
SCHEMBL3874218 0.89 SIGMAR1 (0.53) CARM1PRMT6PRMT8SIGMAR1AOC3
SCHEMBL18641347 0.89 CARM1 (0.58) CARM1PRMT6PRMT8SIGMAR1AOC3
Hydrochloric Acid SCHEMBL31687522 0.87 SIGMAR1 (0.51) CARM1PRMT6PRMT8SIGMAR1AOC3
SCHEMBL23058173 0.84 CARM1 (0.53) CARM1PRMT6PRMT8SIGMAR1AOC3
SCHEMBL3635237 0.83 TSHR (0.54) SIGMAR1AOC3TSHRALDH1A1KMT2A
SCHEMBL170943 0.82 BCHE (0.51) SIGMAR1AOC3ACKR3TSHRALDH1A1
SCHEMBL11456560 0.81 SLC6A2 (0.44) CARM1PRMT6PRMT8AOC3TSHR
SCHEMBL17795575 0.81 TAAR1 (0.44) CARM1PRMT6PRMT8TSHRALDH1A1
SCHEMBL18271856 0.81 TAAR1 (0.51) CARM1PRMT6PRMT8ALDH1A1SLC6A2
SCHEMBL9110973 0.81 TSHR (0.62) CARM1PRMT6PRMT8SIGMAR1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN claimed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
US-4560755-A VASODILATOR, HYPOTENSOR ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
US-4525589-A Isoquinolinesulfonyl derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0061673-B1 ISOQUINOLINESULFONYL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-24 EP disclosed
US-4456757-A MUSCLE RELAXANTS, VASODILATORS, HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
EP-0061673-A1 Isoquinolinesulfonyl derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-10-06 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-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 CARM1 3390/4885PRMT6 1885/4885PRMT8 2804/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 CARM1 3316/4885PRMT6 2000/4885PRMT8 2961/4885

“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.