SCHEMBL3800701

SCHEMBL3800701

O/N=C(/Cc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ MAPT P10636 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ SLC6A2 P23975 1/20 0.54
▸ FNTA P49354 1/20 0.54
▸ FNTB P49356 1/20 0.54
▸ CYP3A4 P08684 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ AHR P35869 1/20 0.51
▸ GPR84 Q9NQS5 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PKM P14618 1/20 0.48

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
SCHEMBL3800702 1.00 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL837741 0.78 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL874981 0.78 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13333434 0.78 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3804289 0.78 MEN1 (0.72) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1854707 0.78 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1702738 0.77 MAPT (0.68) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1754977 0.77 MAPT (0.68) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12691322 0.75 MEN1 (0.65) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Indole-3-Acetic Acid SCHEMBL26344 0.75 MEN1 (0.75) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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
EP-2260022-B1 SUBSTITUTED CYCLOHEXYLDIAMINES GRUENENTHAL GMBH (DE) 2017-01-04 — — EP disclosed
US-8357705-B2 Substituted cyclohexyldiamines GRUENENTHAL GMBH (DE) 2013-01-22 — — US disclosed
EP-2260022-A1 SUBSTITUTED CYCLOHEXYLDIAMINES Grünenthal GmbH (DE) 2010-12-15 — — EP disclosed
WO-2009118174-A1 SUBSTITUTED CYCLOHEXYLDIAMINES Grünenthal GmbH (DE) 2009-10-01 — — WO disclosed
US-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES GRUNENTHAL GMBH (DE) 2009-10-01 — — 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-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES OPRL1, OPRD1, OPRK1 MEN1 4017/4885KMT2A 1985/4885MAPT 1952/4885

“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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