SCHEMBL17954131

SCHEMBL17954131

O=C(c1cnc2ccccc2c1)N1CCN(Cc2ccc3c(c2)OCC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CCR3 P51677 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ACACB O00763 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PRKAB2 O43741 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PRKAG3 Q9UGI9 1/20 0.44
▸ PRKAG2 Q9UGJ0 1/20 0.44

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
SCHEMBL16598448 0.85 KDM4E (0.66) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL12438396 0.81 NPC1 (0.57) FAAHMEN1KMT2ASMN1; SMN2CCR3
SCHEMBL16598803 0.81 FAAH (0.64) FAAHMEN1KMT2ASMN1; SMN2CCR3
SCHEMBL2219964 0.80 GPR183 (0.57) FAAHALDH1A1MEN1KMT2AHPGD
SCHEMBL12513600 0.80 FAAH (0.63) FAAHKDM4EALDH1A1MEN1KMT2A
SCHEMBL1135024 0.80 NPC1 (0.56) FAAHMEN1KMT2ASMN1; SMN2CCR3
SCHEMBL12438404 0.80 NPC1 (0.56) FAAHMEN1KMT2ASMN1; SMN2CCR3
SCHEMBL12438409 0.80 NPC1 (0.56) FAAHMEN1KMT2ASMN1; SMN2CCR3
SCHEMBL13645262 0.80 NPC1 (0.56) FAAHMEN1KMT2ASMN1; SMN2CCR3
SCHEMBL17954124 0.79 GRIN2B (0.62) FAAHALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 — — 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS FAAH 3473/4885KDM4E 1496/4885TDP1 3593/4885

“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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