SCHEMBL24422225

SCHEMBL24422225

CC(C)(C)N1CCN(c2ccc(CCO)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.44
▸ S1PR1 P21453 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BRS3 P32247 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ SLC13A5 Q86YT5 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL24422230 0.86 CHKA (0.58) CHKAS1PR1MAPTCTSLCTSB
SCHEMBL15392533 0.81 CHKA (0.65) CHKAMAPTNPSR1NCF1
SCHEMBL13179270 0.81 KDM4E (0.49) CHKAMAPTPOLB
SCHEMBL21933940 0.79 ESR1 (0.42) CHKAMAPTNPSR1BRS3CTSL
SCHEMBL3819497 0.79 MAPT (0.40) CHKAMAPTCTSLCTSBCTSS
SCHEMBL4809382 0.78 CHKA (0.51) CHKAMAPTNPSR1CA2POLB
SCHEMBL12676672 0.77 CHKA (0.53) CHKAMAPTNPSR1POLB
SCHEMBL24421700 0.77 ALDH1A1 (0.56) MAPTNPSR1DRD2
SCHEMBL931389 0.75 SLC13A5 (0.52) MAPTSLC13A5
SCHEMBL23355487 0.75 MAPT (0.61) MAPTNPSR1

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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 — — 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 CHKA 2152/4885S1PR1 331/4885MAPT 4347/4885

“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.

Send feedback