SCHEMBL22553535

SCHEMBL22553535

CC1(O)CCCC1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.41
TRPA1 O75762 1/20 0.40
EBP Q15125 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CCR5 P51681 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
MGLL Q99685 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL22553534 1.00 SLC18A3 (0.41) SLC18A3TRPA1EBPNPSR1KDM4E
SCHEMBL15191721 1.00 SLC18A3 (0.41) SLC18A3TRPA1EBPNPSR1KDM4E
SCHEMBL20689088 0.90 NPSR1 (0.41) SLC18A3EBPNPSR1KDM4EATM
SCHEMBL20689093 0.90 NPSR1 (0.41) SLC18A3EBPNPSR1KDM4EATM
SCHEMBL14873970 0.84 KDM4E (0.41) SLC18A3EBPNPSR1KDM4EATM
SCHEMBL22553624 0.84 LMNA (0.43) SLC18A3NPSR1CCR5OPRM1MEN1
SCHEMBL13734746 0.76 TRPA1 (0.51) SLC18A3TRPA1EBPNPSR1KDM4E
SCHEMBL14657441 0.76 TRPA1 (0.51) SLC18A3TRPA1EBPNPSR1KDM4E
SCHEMBL14657444 0.76 TRPA1 (0.51) SLC18A3TRPA1EBPNPSR1KDM4E
SCHEMBL383264 0.74 CCR5 (0.47) SLC18A3EBPNPSR1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114007697-A Antiproliferative agents for the treatment of PAH 辉瑞公司 2022-02-01 CN disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 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 (2 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-11203594-B2 Anti-proliferative agents for treating PAH EDNRB, EDNRA, PAH SLC18A3 3426/4885TRPA1 4398/4885EBP 822/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH SLC18A3 3426/4885TRPA1 4398/4885EBP 822/4885

“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.