SCHEMBL23323907

SCHEMBL23323907

CC(C)c1cccnc1C1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
HRH1 P35367 1/20 0.38
CXCR4 P61073 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
IDH1 O75874 1/20 0.33
HTT P42858 1/20 0.32
PDE10A Q9Y233 3/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
APLNR P35414 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL23325059 0.80 OPRL1 (0.41) HRH1OPRM1OPRL1HTTPOLB
SCHEMBL30038147 0.78 PDE10A (0.41) HRH1HTTPDE10APOLBMAPT
SCHEMBL13439542 0.76 CHRNA7 (0.45) CHRNA7CXCR4OPRM1OPRL1HPGD
SCHEMBL2609321 0.75 CHRNA7 (0.47) CHRNA7CXCR4OPRM1OPRL1POLB
SCHEMBL22315285 0.75 OPRL1 (0.43) CHRNA7OPRM1OPRL1PDE10AMAPK1
SCHEMBL12304132 0.74 CHRNA7 (0.44) CHRNA7CXCR4OPRM1OPRL1KDM4E
SCHEMBL21974223 0.74 CHRNA7 (0.44) CHRNA7CXCR4OPRM1OPRL1KDM4E
SCHEMBL21774648 0.73 SLC6A3 (0.43) IDH1PDE10AALDH1A1
SCHEMBL26049094 0.73 SLC6A3 (0.33) MAPK8MAPK9MAPK10IDH1PDE10A
SCHEMBL9369196 0.73 PDE10A (0.42) HRH1MAPK8MAPK9MAPK10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374035-A1 RAS INHIBITORS Revolution Medicines, Inc. 2023-11-23 US disclosed
US-20230374035-A1 RAS INHIBITORS Revolution Medicines, Inc. 2023-11-23 US disclosed
US-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-11566007-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-01-31 US disclosed
US-20210130369-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 US disclosed
US-20210130303-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 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 (6 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-11566007-B2 Ras inhibitors KRAS, NRAS, HRAS CHRNA7 4871/4885HRH1 2949/4885CXCR4 3632/4885
US-20230234929-A1 RAS INHIBITORS KRAS, NRAS, HRAS CHRNA7 4871/4885HRH1 2949/4885CXCR4 3632/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR CHRNA7 4867/4885HRH1 3515/4885CXCR4 3801/4885
US-20210130303-A1 RAS INHIBITORS KRAS, NRAS, HRAS CHRNA7 4871/4885HRH1 2949/4885CXCR4 3632/4885
US-20230374035-A1 RAS INHIBITORS KRAS, NRAS, HRAS CHRNA7 4871/4885HRH1 2949/4885CXCR4 3632/4885
US-20210130369-A1 RAS INHIBITORS KRAS, NRAS, HRAS CHRNA7 4871/4885HRH1 2949/4885CXCR4 3632/4885

“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.