SCHEMBL5411850

SCHEMBL5411850

O=C(Nc1ccc(Oc2ccccc2)cc1)NC(C(=O)NCCN1CCCC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 6/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ MCHR1 Q99705 6/20 0.52
▸ MCHR2 Q969V1 3/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL5411845 1.00 TACR2 (0.53) TACR2MEN1KMT2APOLBMCHR1
SCHEMBL5407347 0.89 SMN1; SMN2 (0.55) TACR2MEN1KMT2APOLBMCHR1
SCHEMBL5407336 0.89 SMN1; SMN2 (0.55) TACR2MEN1KMT2APOLBMCHR1
SCHEMBL5414084 0.82 TACR2 (0.75) TACR2MCHR1MCHR2
SCHEMBL5414090 0.82 TACR2 (0.75) TACR2MCHR1MCHR2
SCHEMBL5408334 0.79 TACR2 (0.60) TACR2MEN1KMT2APOLBMCHR1
SCHEMBL5408341 0.79 TACR2 (0.60) TACR2MEN1KMT2APOLBMCHR1
SCHEMBL14519566 0.78 MEN1 (0.52) TACR2MEN1KMT2APOLBMCHR1
SCHEMBL8297910 0.78 MEN1 (0.52) TACR2MEN1KMT2APOLBMCHR1
SCHEMBL5414437 0.77 TACR2 (0.77) TACR2

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 TACR2 1302/4885MEN1 1713/4885KMT2A 650/4885

“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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