SCHEMBL25979342

SCHEMBL25979342

CCN1CCN(C(=O)N(Cc2ccc(C(=O)NOI)cc2)c2ccccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
OPRM1 P35372 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL25979330 0.91 TSHR (0.44) POLBTSHROPRM1MEN1KMT2A
SCHEMBL25979358 0.90 HDAC4 (0.47) POLBTSHROPRM1KDM4EALDH1A1
SCHEMBL16211363 0.90 POLB (0.46) POLBTSHROPRM1MEN1KMT2A
SCHEMBL25980746 0.90 TSHR (0.46) POLBTSHRMEN1KMT2AKDM4E
SCHEMBL25979317 0.90 TSHR (0.46) POLBTSHRMEN1KMT2AKDM4E
SCHEMBL25979283 0.89 SMN1; SMN2 (0.46) POLBTSHRMEN1KMT2AKDM4E
SCHEMBL16211730 0.88 ALDH1A1 (0.53) POLBTSHRMEN1KMT2AKDM4E
SCHEMBL25980729 0.88 TSHR (0.41) POLBTSHROPRM1MEN1KMT2A
SCHEMBL25979300 0.87 HTT (0.49) POLBTSHRMEN1KMT2AKDM4E
SCHEMBL25979304 0.85 CYP3A4 (0.43) POLBTSHROPRM1MEN1KMT2A

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 POLB 1599/4885TSHR 4672/4885OPRM1 327/4885

“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.