SCHEMBL4920622

SCHEMBL4920622

O=c1[nH]c2ccccc2n1CC1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 5/20 0.49
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30898290 0.86 TSHR (0.57) TSHRKDM4EHPGDCYP1A2CYP2C9
SCHEMBL25281274 0.86 HPGD (0.66) TSHRKDM4EHPGDCYP1A2MEN1
SCHEMBL29212238 0.86 TSHR (0.57) TSHRKDM4EHPGDCYP1A2CYP2C9
SCHEMBL5240670 0.81 MAPK9 (0.48) TSHRKDM4EHPGDCYP1A2CYP2C9
SCHEMBL23997359 0.80 HPGD (0.57) TSHRHPGDCYP1A2MEN1KMT2A
SCHEMBL739521 0.79 HPGD (0.62) TSHRHPGDCYP1A2MEN1KMT2A
SCHEMBL21463542 0.79 HPGD (0.56) TSHRHPGDCYP1A2MEN1KMT2A
SCHEMBL7248358 0.78 HPGD (0.74) TSHRKDM4EHPGDCYP1A2MEN1
SCHEMBL23997256 0.74 HPGD (0.57) TSHRHPGDCYP1A2MEN1KMT2A
SCHEMBL25275996 0.73 HPGD (0.56) TSHRHPGDCYP1A2MEN1KMT2A

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-20080058376-A1 PIPERIDINES ICAGEN, INC. (US) 2008-03-06 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-20080058376-A1 PIPERIDINES TRPV3, SCN3A, TRPV1 TSHR 4322/4885KDM4E 2585/4885HPGD 1030/4885

“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.