SCHEMBL23917280

SCHEMBL23917280

CC#CC(=O)N1CC(C)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.47
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HSD17B3 P37058 2/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TSHR P16473 1/20 0.36
CACNA1H O95180 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 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
SCHEMBL23917510 0.85 NOTUM (0.43) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL21172497 0.80 NOTUM (0.61) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL21172644 0.80 NOTUM (0.61) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL26517034 0.79 NOTUM (0.51) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL7352202 0.78 AVPR2 (0.56) NOTUMSMN1; SMN2HSD17B3ALDH1A1NPC1
SCHEMBL21172618 0.77 NOTUM (0.49) NOTUMMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL26517033 0.77 NOTUM (0.49) NOTUMMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL23917466 0.77 NOTUM (0.49) NOTUMMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL23917198 0.75 NOTUM (0.48) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL16353667 0.74 NOTUM (0.47) NOTUMSMN1; SMN2RXRARXRBRXRG

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB NOTUM 2740/4885MTNR1A 4845/4885MTNR1B 4784/4885

“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.