SCHEMBL23917510

SCHEMBL23917510

CC1Cc2ccccc2N(C(=O)C#CN(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.43
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
USP30 Q70CQ3 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
HSD17B3 P37058 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CACNA1H O95180 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
SCHEMBL23917280 0.85 NOTUM (0.47) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL21172497 0.77 NOTUM (0.61) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL21172644 0.77 NOTUM (0.61) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL26517034 0.76 NOTUM (0.51) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL21172618 0.73 NOTUM (0.49) NOTUMMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL23917466 0.73 NOTUM (0.49) NOTUMMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL26517033 0.73 NOTUM (0.49) NOTUMMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL23917198 0.72 NOTUM (0.48) NOTUMMTNR1AMTNR1BSMN1; SMN2HSD17B3
SCHEMBL16353667 0.71 NOTUM (0.47) NOTUMSMN1; SMN2
SCHEMBL16385108 0.71 NOTUM (0.47) NOTUMSMN1; SMN2

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.