SCHEMBL30822012

SCHEMBL30822012

c1cnc2c(N3CCCCC3)nccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ACKR3 P25106 1/20 0.51
KDM4E B2RXH2 6/20 0.49
TSHR P16473 5/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
GRM4 Q14833 2/20 0.48
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MMP2 P08253 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL30822013 0.89 ACKR3 (0.49) CYP1A2CYP2C9CYP2C19ACKR3KDM4E
SCHEMBL3680133 0.83 HTR2C (0.67) KDM4EALDH1A1HTR2CHTR2ASLC6A4
SCHEMBL3688963 0.83 HRH4 (0.67) KDM4EGRM4HTR2CHRH4RAB9A
Hydrochloric Acid SCHEMBL8597079 0.81 HTR2C (0.65) KDM4EALDH1A1HTR2CHTR2ASLC6A4
SCHEMBL30600701 0.80 GRM4 (0.52) ACKR3KDM4ETSHRGRM4LMNA
SCHEMBL3688922 0.79 ACKR3 (0.52) CYP1A2CYP2C19ACKR3TSHRLMNA
SCHEMBL9673340 0.79 HTR2A (0.71) KDM4ETSHRALDH1A1LMNATDP1
SCHEMBL4766806 0.79 HRH4 (0.71) KDM4ETSHRALDH1A1GLAGAA
SCHEMBL27643484 0.77 HRH4 (0.69) KDM4ETSHRALDH1A1GLAGAA
SCHEMBL29746904 0.76 HTR2A (0.73) KDM4ETSHRALDH1A1LMNATDP1

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-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2024-02-08 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-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS C5AR1, C5AR2, C3AR1 CYP1A2 2787/4885CYP2C9 1112/4885CYP2C19 1155/4885

“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.