SCHEMBL22686228

SCHEMBL22686228

Cc1cccc(F)c1N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.44
GAA P10253 4/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMO O15229 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL30241915 1.00 ALDH1A1 (0.51) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL30241920 1.00 ALDH1A1 (0.51) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL30241930 0.88 ALDH1A1 (0.42) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL30241927 0.88 ALDH1A1 (0.42) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL30241913 0.87 ALDH1A1 (0.41) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL30561227 0.86 ALDH1A1 (0.40) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL11922737 0.86 ALDH1A1 (0.65) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL15462283 0.83 ALDH1A1 (0.61) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL21447974 0.83 ALDH1A1 (0.46) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL28679269 0.83 ALDH1A1 (0.42) ALDH1A1MEN1HTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685729-B2 C5a receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-06-27 US disclosed
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-22 US disclosed
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-03-21 US disclosed
US-20210122736-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2021-04-29 US disclosed
US-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-26 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 (5 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-20210122736-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 ALDH1A1 3478/4885MEN1 1357/4885HTT 4234/4885
US-11685729-B2 C5a receptor modulators C5AR1, C3AR1, C5AR2 ALDH1A1 3478/4885MEN1 1357/4885HTT 4234/4885
US-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 ALDH1A1 2010/4885MEN1 1430/4885HTT 4164/4885
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 ALDH1A1 2010/4885MEN1 1430/4885HTT 4164/4885
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators C5AR1, C3AR1, C5AR2 ALDH1A1 3015/4885MEN1 2605/4885HTT 4152/4885

“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.