SCHEMBL30008822

SCHEMBL30008822

CC1C=CCN(C(=O)Cc2cccc(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
JAK1 P23458 1/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
PLA2G7 Q13093 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGAT3 Q09327 2/20 0.40
NAMPT P43490 1/20 0.40
DGAT1 O75907 1/20 0.40
MGAT2 Q10469 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL30008819 0.85 KDM4E (0.46) OPRD1JAK1POLBKMT2AALDH1A1
SCHEMBL9321469 0.76 TSHR (0.55) POLBKMT2ACYP2D6CYP2C9ALOX15
SCHEMBL30009584 0.74 HPGD (0.64) KMT2AALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL30009423 0.72 HTT (0.51) JAK1POLBKMT2ATSHRALDH1A1
SCHEMBL22874685 0.71 GPR119 (0.53) OPRD1OPRK1POLBKMT2ACYP2D6
SCHEMBL30009239 0.68 P2RX7 (0.51) JAK1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL8377657 0.68 CYP2D6 (0.65) KMT2ACYP2D6CYP2C9ALOX15TSHR
SCHEMBL20432803 0.67 SIGMAR1 (0.48) KMT2ACYP2D6CYP2C9ALOX15TSHR
SCHEMBL1426756 0.66 MAOB (0.51) CASP3CASP7
SCHEMBL22622398 0.66 ALDH1A1 (0.57) POLBKMT2AALDH1A1SMN1; SMN2MEN1

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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 OPRD1 4582/4885OPRK1 2478/4885JAK1 83/4885

“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.