SCHEMBL25055852

SCHEMBL25055852

CC(=O)N1CCC2(C1)SCCN2Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.52
CYP3A4 P08684 4/20 0.49
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
TSHR P16473 1/20 0.49
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
USP2 O75604 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
AMPD2 Q01433 1/20 0.40
RIPK1 Q13546 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL25055552 0.93 CYP2D6 (0.56) CYP2D6CYP3A4OPRM1OPRL1TSHR
SCHEMBL25055546 0.92 CYP2D6 (0.58) CYP2D6CYP3A4OPRM1OPRL1TSHR
SCHEMBL25055540 0.91 CYP2D6 (0.49) CYP2D6CYP3A4OPRM1OPRL1TSHR
SCHEMBL25055789 0.87 OPRD1 (0.45) CYP2D6OPRD1OPRK1CYP2C19ALDH1A1
SCHEMBL25055523 0.87 OPRD1 (0.45) CYP2D6CYP3A4OPRM1OPRL1OPRD1
SCHEMBL25055537 0.86 OPRM1 (0.47) CYP2D6CYP3A4OPRM1OPRL1TSHR
SCHEMBL25055583 0.85 ALDH1A1 (0.41) CYP2D6CYP3A4OPRM1OPRL1TSHR
SCHEMBL25055900 0.84 NPC1 (0.43) CYP2D6CYP3A4TSHRCYP2C19CYP1A2
SCHEMBL25055581 0.84 DPP4 (0.39) CYP2D6OPRD1OPRK1CYP2C19ALDH1A1
SCHEMBL25055585 0.84 OPRD1 (0.48) CYP2D6TSHROPRD1OPRK1ALDH1A1

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
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
EP-4137496-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Beijing Greatway Pharmaceutical Technology Co., Ltd. (CN) 2023-02-22 EP 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C CYP2D6 1328/4885CYP3A4 2169/4885OPRM1 33/4885

“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.