SCHEMBL18179961

SCHEMBL18179961

CC(=O)[C@H]1N[C@H]2CC[C@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ CTSC P53634 14/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CHRNB3 Q05901 1/20 0.34
▸ CHRNA6 Q15825 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL16558032 1.00 ATM (0.44) ATMCTSCKDM4EALDH1A1CHRNB2
SCHEMBL8291499 1.00 ATM (0.44) ATMCTSCKDM4EALDH1A1CHRNB2
SCHEMBL29952931 0.80 SLC1A2 (0.42) ATMCTSC
SCHEMBL6479236 0.80 SLC1A2 (0.42) ATMCTSC
SCHEMBL12437619 0.80 SLC1A2 (0.42) ATMCTSC
SCHEMBL4040707 0.80 SLC1A2 (0.42) ATMCTSC
SCHEMBL993042 0.80 SLC1A2 (0.42) ATMCTSC
SCHEMBL21151866 0.80 SLC1A2 (0.42) ATMCTSC
SCHEMBL22020094 0.80 CTSC (0.40) ATMCTSC
SCHEMBL6480162 0.80 SLC1A2 (0.42) ATMCTSC

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-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 — — 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-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP ATM 4121/4885CTSC 418/4885KDM4E 4311/4885

“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.

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