SCHEMBL17954125

SCHEMBL17954125

O=C(c1ccc2ccccc2n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.60
▸ FAAH O00519 2/20 0.59
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 1/20 0.48
▸ SSTR5 P35346 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ACACB O00763 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ PKM P14618 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ PARP1 P09874 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
SCHEMBL16599328 0.85 LMNA (0.64) GRIN2BFAAHMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL6584348 0.79 GRIN2B (0.88) GRIN2BMEN1KMT2ATSHRHSD17B10
SCHEMBL1134958 0.78 GRIN2B (0.75) GRIN2BFAAHMEN1KMT2ATSHR
SCHEMBL17954131 0.75 FAAH (0.48) FAAHMEN1KMT2AACACBSMN1; SMN2
SCHEMBL3601029 0.74 FAAH (1.00) FAAHTSHRMAPTRAB9AKDM4E
SCHEMBL17954126 0.74 MAPK14 (0.66) FAAHKMT2ALMNAMAPTACACB
SCHEMBL17954124 0.72 GRIN2B (0.62) GRIN2BFAAHMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL10334450 0.72 GRIN2B (0.62) GRIN2BMEN1KMT2ATSHRHSD17B10
SCHEMBL8061129 0.71 TSHR (0.70) GRIN2BMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL12227071 0.71 FAAH (0.58) FAAHMEN1KMT2ASSTR5LMNA

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 GRIN2B 1194/4885FAAH 3473/4885MEN1 2201/4885

“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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