SCHEMBL7013606

SCHEMBL7013606

Cc1cc(N2CCN(C(=O)O)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
AOC3 Q16853 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
C1S P09871 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CHEK1 O14757 1/20 0.42
CHRM4 P08173 1/20 0.42
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
WNT3A P56704 3/20 0.41
F10 P00742 1/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 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
SCHEMBL21186191 0.85 HRH4 (0.50) CHRM1AOC3SMN1; SMN2MAPTGAA
SCHEMBL8514674 0.81 CHRM1 (0.46) CHRM1ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL20445962 0.81 GABRP (0.45) ALDH1A1C1SCHEK1MAPTGFER
SCHEMBL16795143 0.81 EED (0.52) ALDH1A1PHGDH
SCHEMBL10320809 0.80 WNT3A (0.56) ALDH1A1SMN1; SMN2MAPTWNT3ATSHR
SCHEMBL16795197 0.80 PHGDH (0.44) CHRM1ALDH1A1HSD17B10MAPTTSHR
SCHEMBL16795401 0.79 HRH4 (0.62) ALDH1A1SMN1; SMN2HSD17B10TSHRGAA
SCHEMBL4891157 0.79 KDM4E (0.56) HSD17B10F10TSHRGAA
SCHEMBL23410481 0.78 AOC3 (0.45) AOC3SMN1; SMN2HSD17B10MAPTSLC6A7
SCHEMBL13027974 0.78 HRH4 (0.61) ALDH1A1SMN1; SMN2MAPTGFERGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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 (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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH CHRM1 1840/4885AOC3 3593/4885ALDH1A1 4317/4885

“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.