SCHEMBL16598698

SCHEMBL16598698

O=C(c1cccc2cc[nH]c12)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.58
MAPT P10636 3/20 0.58
MAOB P27338 1/20 0.56
NOD2 Q9HC29 1/20 0.53
ALDH1A1 P00352 6/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 4/20 0.50
KEAP1 Q14145 1/20 0.50
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
MGLL Q99685 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
CACNA1H O95180 1/20 0.47
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNA1C Q13936 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
SCHEMBL31350705 0.85 MAOB (0.52) NPSR1MAPTMAOBNOD2ALDH1A1
SCHEMBL8295958 0.81 ALDH1A1 (0.64) MAPTALDH1A1TSHRHTTKMT2A
SCHEMBL16598948 0.81 MAPK14 (0.64) NPSR1MAPTMAOBNOD2ALDH1A1
SCHEMBL8291050 0.79 KEAP1 (0.54) ALDH1A1TSHRL3MBTL1KMT2AKEAP1
SCHEMBL2214668 0.79 KEAP1 (0.57) NPSR1MAPTALDH1A1TSHRHTT
SCHEMBL8297215 0.78 MAPK14 (0.67) ALDH1A1TSHRHTTL3MBTL1KMT2A
SCHEMBL6094782 0.77 HCRTR1 (0.41) NPSR1MAPTALDH1A1KMT2AKEAP1
SCHEMBL5280593 0.76 HRH4 (0.58) ALDH1A1KMT2AKEAP1MEN1KDM4E
Hydrochloric Acid SCHEMBL27517114 0.76 KEAP1 (0.48) MAPTALDH1A1TSHRHTTKMT2A
SCHEMBL16598935 0.76 GHSR (0.70) NPSR1MAPTMAOBALDH1A1HTT

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 7 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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
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
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 WO 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 NPSR1 3765/4885MAPT 3773/4885MAOB 4298/4885

“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.