SCHEMBL7124323

SCHEMBL7124323

O[C@H]1CCN(CN2CCCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNA3 P22001 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HTT P42858 2/20 0.33
LTA4H P09960 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR1A P08908 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7124332 1.00 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EPDCD1CD274
SCHEMBL7578600 0.88 HRH3 (0.39) ALDH1A1TSHRKDM4EKCNA3HRH3
SCHEMBL2299301 0.83 ALDH1A1 (0.37) ALDH1A1TSHRKDM4EPOLBHPGD
SCHEMBL10867737 0.82 PDCD1 (0.43) ALDH1A1TSHRKDM4EPDCD1CD274
SCHEMBL1867738 0.81 HRH3 (0.38) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL28960037 0.75 PDCD1 (0.44) ALDH1A1PDCD1CD274KCNA3HRH3
SCHEMBL7122474 0.74 HRH3 (0.41) HRH3CHRM5ADRA2C
SCHEMBL7122468 0.74 HRH3 (0.41) HRH3CHRM5ADRA2C
SCHEMBL3188988 0.73
SCHEMBL1860123 0.73

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-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 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-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 ALDH1A1 2773/4885TSHR 3115/4885KDM4E 931/4885

“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.