SCHEMBL18658299

SCHEMBL18658299

O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.65
PRKAA2 P54646 1/20 0.62
MCHR1 Q99705 4/20 0.62
SLC6A12 P48065 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
UBE2M P61081 1/20 0.59
DCUN1D1 Q96GG9 1/20 0.59
CCR3 P51677 1/20 0.57
TEAD1 P28347 1/20 0.56
ATM Q13315 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL5402061 0.88 SIGMAR1 (0.68) SIGMAR1MCHR1SLC6A12TMEM97DRD3
SCHEMBL18658336 0.85 SIGMAR1 (0.71) SIGMAR1MCHR1SLC6A12TMEM97UBE2M
SCHEMBL1920767 0.81 SIGMAR1 (0.55) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL4390012 0.80 DRD4 (0.65) SIGMAR1MCHR1TEAD1
SCHEMBL6865672 0.80 DRD4 (0.65) SIGMAR1MCHR1TEAD1
SCHEMBL3351581 0.80 SIGMAR1 (0.60) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL3873002 0.79 OPRK1 (0.58) CCR3DRD3
SCHEMBL3873003 0.79 OPRK1 (0.58) CCR3DRD3
SCHEMBL5862050 0.79 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL8037825 0.79 SIGMAR1 (1.00) SIGMAR1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-01-19 US disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-03-11 US disclosed
WO-2017049295-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-03-23 WO 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 (3 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-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 SIGMAR1 3671/4885PRKAA2 1766/4885MCHR1 3162/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 SIGMAR1 3671/4885PRKAA2 1766/4885MCHR1 3162/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 SIGMAR1 3671/4885PRKAA2 1766/4885MCHR1 3162/4885

“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.