SCHEMBL29969746

SCHEMBL29969746

COC(=O)C1CC(F)(c2ccccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 3/20 0.41
OPRL1 P41146 3/20 0.41
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PDK2 Q15119 2/20 0.37
CHRM4 P08173 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.35
ITGA4 P13612 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL21513708 1.00 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRL1HSD17B10
SCHEMBL21512759 0.84 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1OPRL1HSD17B10
SCHEMBL29970107 0.84 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1OPRL1HSD17B10
SCHEMBL21513711 0.78 OPRM1 (0.40) OPRM1OPRL1MAPT
SCHEMBL29969129 0.78 OPRM1 (0.40) OPRM1OPRL1MAPT
SCHEMBL21513712 0.75 LATS1 (0.38) KDM4EALDH1A1
SCHEMBL9631982 0.74 OPRM1 (0.41) SLC6A2SLC6A4OPRM1OPRL1HSD17B10
SCHEMBL21513200 0.73 SLC6A2 (0.43) SLC6A2SLC6A4KDM4ECYP3A4CYP2D6
SCHEMBL18989493 0.72 ATR (0.38)
SCHEMBL20729069 0.71 HSD17B10 (0.64) HSD17B10CYP3A4CYP2D6TSHRCYP2C19

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-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 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 (2 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 SLC6A2 4698/4885SLC6A4 4600/4885OPRM1 4580/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 SLC6A2 4698/4885SLC6A4 4600/4885OPRM1 4580/4885

“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.