SCHEMBL24449646

SCHEMBL24449646

CC(C)(C)NC(C)(C)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC6 Q9UBN7 1/20 0.40
CHRM2 P08172 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
IMPDH2 P12268 2/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 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
SCHEMBL2055586 0.81 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1HDAC6CHRM2IMPDH2
SCHEMBL5561478 0.78 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1HDAC6CHRM2HDAC8
SCHEMBL19862563 0.78 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1HDAC6CHRM2IMPDH2
SCHEMBL24451411 0.76 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1HDAC6CHRM2IMPDH2
SCHEMBL29080 0.75 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2HDAC8EHMT2
SCHEMBL31645911 0.75 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2HDAC8EHMT2
SCHEMBL10356935 0.75 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2HDAC8EHMT2
SCHEMBL29349628 0.75 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2HDAC8EHMT2
SCHEMBL28883610 0.75 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2HDAC8EHMT2
SCHEMBL20840547 0.75 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1HDAC6CHRM2IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-20220162231-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 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-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 SMN1; SMN2 2757/4885L3MBTL1 4797/4885HDAC6 36/4885
US-20220162231-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 SMN1; SMN2 3361/4885L3MBTL1 4851/4885HDAC6 51/4885

“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.