SCHEMBL3574805

SCHEMBL3574805

CC(=Cc1ccccc1)CN1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
USP2 O75604 1/20 0.71
ALOX15 P16050 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 5/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 1/20 0.58
HSD17B10 Q99714 1/20 0.55
MAPT P10636 1/20 0.50
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 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
SCHEMBL3574801 1.00 TSHR (0.71) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13539640 0.86 TSHR (0.72) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL3416007 0.85 TSHR (0.66) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL3416005 0.85 TSHR (0.66) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL8976337 0.83 SMN1; SMN2 (0.68) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL8976340 0.83 SMN1; SMN2 (0.68) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306991 0.83 TSHR (0.64) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13499548 0.83 ALDH1A1 (0.73) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL27347843 0.82 TSHR (0.67) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13499253 0.82 TSHR (0.62) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 TSHR 937/4885USP2 4507/4885ALOX15 1742/4885

“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.