SCHEMBL1648396

SCHEMBL1648396

O=C(O)C1(COCc2ccccc2)CCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.51
CYP2D6 P10635 4/20 0.51
HIF1A Q16665 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
F10 P00742 4/20 0.49
GRM5 P41594 2/20 0.47
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
PLG P00747 2/20 0.47
CYP2C19 P33261 4/20 0.46
CYP3A4 P08684 4/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL21496636 0.80 TACR1 (0.51) CYP2C9CYP2D6SMN1; SMN2TSHRALDH1A1
SCHEMBL2435076 0.76 TACR1 (0.48) TSHRALDH1A1MAPK1GRM5CYP2C19
SCHEMBL20493405 0.74 TACR1 (0.42) CYP2D6SMN1; SMN2TSHRALDH1A1MAPK1
SCHEMBL20493402 0.74 TACR1 (0.42) CYP2D6SMN1; SMN2TSHRALDH1A1MAPK1
SCHEMBL8000886 0.74 TSHR (0.48) CYP2C9CYP2D6SMN1; SMN2TSHRALDH1A1
SCHEMBL15105750 0.73 TACR1 (0.46) TSHRALDH1A1MAPK1GRM5
SCHEMBL27953255 0.73 TACR1 (0.64)
SCHEMBL1446835 0.73 TACR1 (0.60) SMN1; SMN2TSHR
SCHEMBL6187228 0.73 ITGB3 (0.51) SMN1; SMN2ALDH1A1MAPK1F10ITGB3
SCHEMBL19839312 0.71 HTR2C (0.44) CYP2C9SMN1; SMN2TSHRALDH1A1CYP2C19

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-20110172416-A1 AMIDINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2011-07-14 US disclosed
EP-2311810-A1 AMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2011-04-20 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-20110172416-A1 AMIDINE DERIVATIVE SERPINC1, F12, F11 CYP2C9 847/4885CYP2D6 3080/4885HIF1A 3630/4885

“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.