SCHEMBL5407347

SCHEMBL5407347

CC(C)C(NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MCHR1 Q99705 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ TACR2 P21452 9/20 0.54
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MCHR2 Q969V1 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ GLA P06280 1/20 0.50

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
SCHEMBL5407336 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MCHR1MEN1KMT2APOLB
SCHEMBL5411850 0.89 TACR2 (0.53) MCHR1MEN1KMT2APOLBTACR2
SCHEMBL5411845 0.89 TACR2 (0.53) MCHR1MEN1KMT2APOLBTACR2
SCHEMBL8297910 0.84 MEN1 (0.52) SMN1; SMN2MCHR1MEN1KMT2APOLB
SCHEMBL14519566 0.84 MEN1 (0.52) SMN1; SMN2MCHR1MEN1KMT2APOLB
SCHEMBL5414084 0.83 TACR2 (0.75) MCHR1TACR2MCHR2
SCHEMBL5414090 0.83 TACR2 (0.75) MCHR1TACR2MCHR2
SCHEMBL8297052 0.82 MEN1 (0.51) SMN1; SMN2MCHR1MEN1KMT2APOLB
SCHEMBL5412579 0.82 TACR2 (0.60) MCHR1TACR2MCHR2
SCHEMBL5412552 0.82 TACR2 (0.60) MCHR1TACR2MCHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 — — US claimed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 — — US claimed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 — — US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 — — US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 — — 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 SMN1; SMN2 785/4885MCHR1 2851/4885MEN1 1713/4885

“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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