SCHEMBL23623629

SCHEMBL23623629

COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCC(F)(F)C2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD4 P21917 2/20 0.41
CHRNA3 P32297 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TACR3 P29371 1/20 0.39
DRD3 P35462 2/20 0.38
NTRK1 P04629 1/20 0.38
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.38
PDE5A O76074 1/20 0.38
GBA1 P04062 1/20 0.38
HCN1 O60741 1/20 0.38
HCN4 Q9Y3Q4 1/20 0.38

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
SCHEMBL23623807 0.89 CCNT1 (0.42) DRD2DRD4ALDH1A1MAPTNPSR1
SCHEMBL23623633 0.87 CHRNA3 (0.48) DRD2DRD4CHRNA3ALDH1A1MAPT
SCHEMBL23611721 0.87 CHRNA3 (0.49) DRD2DRD4CHRNA3ALDH1A1MAPT
SCHEMBL29930733 0.87 CHRNA3 (0.49) DRD2DRD4CHRNA3ALDH1A1MAPT
SCHEMBL23623308 0.81 KMT2A (0.41) MAPTLMNAKDM4EHPGDPOLB
SCHEMBL24177676 0.81 DRD2 (0.44) DRD2DRD4CHRNA3ALDH1A1MAPT
SCHEMBL23623628 0.81 HDAC3 (0.47) DRD2DRD4CHRNA3ALDH1A1MAPT
SCHEMBL23623323 0.80 HDAC3 (0.47) DRD2DRD4CHRNA3ALDH1A1MAPT
SCHEMBL23623630 0.79 DRD2 (0.43) DRD2DRD4ALDH1A1MAPTLMNA
SCHEMBL23623812 0.77 HPGD (0.46) ALDH1A1MAPTNPSR1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 WO disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 DRD2 4728/4885DRD4 4828/4885CHRNA3 4281/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 DRD2 4728/4885DRD4 4828/4885CHRNA3 4281/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 DRD2 4728/4885DRD4 4828/4885CHRNA3 4281/4885

“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.