SCHEMBL17954126

SCHEMBL17954126

O=C(c1c[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)CCO3)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.66
▸ HTT P42858 2/20 0.66
▸ HDAC1 Q13547 4/20 0.60
▸ HDAC6 Q9UBN7 4/20 0.60
▸ FAAH O00519 1/20 0.58
▸ RGS12 O14924 1/20 0.58
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ACACB O00763 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL16599095 0.85 RGS12 (0.78) MAPK14HTTHDAC1HDAC6RGS12
SCHEMBL12918551 0.82 MAPK14 (0.77) MAPK14HTTHDAC1HDAC6FAAH
SCHEMBL8301611 0.80 MAPK14 (1.00) MAPK14HTTHDAC1HDAC6KMT2A
SCHEMBL8439563 0.78 MAPK14 (0.82) MAPK14HTTHDAC1HDAC6KMT2A
SCHEMBL8445048 0.78 MAPK14 (0.82) MAPK14HTTHDAC1HDAC6KMT2A
SCHEMBL8303336 0.76 MAPK14 (0.82) MAPK14HTTHDAC1HDAC6KMT2A
SCHEMBL17954125 0.74 GRIN2B (0.60) FAAHKMT2AALDH1A1MAPTNR1H4
SCHEMBL3601029 0.74 FAAH (1.00) FAAHMAPT
SCHEMBL29335990 0.73 MAPK14 (0.73) MAPK14HTTHDAC1HDAC6KMT2A
SCHEMBL27381217 0.73 GABRA1 (0.55) MAPK14HTTKMT2AALDH1A1MAPT

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 MAPK14 2278/4885HTT 3033/4885HDAC1 1147/4885

“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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