SCHEMBL25980756

SCHEMBL25980756

Cc1ccc(N2CCN(C(=O)N(Cc3ccc(C(=O)NOI)cc3)c3ccccn3)CC2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.38
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MTOR P42345 1/20 0.37

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
SCHEMBL16212019 0.91 HDAC1 (0.42) OPRM1POLBKMT2ATSHRALDH1A1
SCHEMBL16221512 0.90 ALDH1A1 (0.46) OPRM1POLBKMT2ATSHRALDH1A1
SCHEMBL25979304 0.88 CYP3A4 (0.43) OPRM1POLBKMT2ATSHRALDH1A1
SCHEMBL25979330 0.85 TSHR (0.44) OPRM1POLBKMT2ATSHRALDH1A1
SCHEMBL25979342 0.84 POLB (0.44) OPRM1POLBKMT2ATSHRALDH1A1
SCHEMBL25979317 0.84 TSHR (0.46) POLBKMT2ATSHRALDH1A1MEN1
SCHEMBL25980746 0.84 TSHR (0.46) POLBKMT2ATSHRALDH1A1MEN1
SCHEMBL25979283 0.83 SMN1; SMN2 (0.46) POLBKMT2ATSHRALDH1A1MEN1
SCHEMBL25979288 0.82 CYP2D6 (0.56) KMT2ATSHRALDH1A1MEN1HTR1A
SCHEMBL25980655 0.81 TSHR (0.42) OPRM1TSHRALDH1A1HTR1ADRD4

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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-10 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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) NR1H2, CFTR, CYP11B2 OPRM1 327/4885POLB 1599/4885KMT2A 4539/4885

“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.