SCHEMBL2687705

SCHEMBL2687705

O=C([CH]Cc1ccccc1)NC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.62
EPHX1 P07099 7/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 3/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
HPGD P15428 1/20 0.57
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.51
TAAR1 Q96RJ0 2/20 0.51

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
SCHEMBL2985313 0.82 F2 (0.47) EPHX2EPHX1RAB9ASMN1; SMN2NPC1
SCHEMBL19712313 0.81 EPHX2 (0.40) EPHX2EPHX1RAB9ASMN1; SMN2NPC1
SCHEMBL19712342 0.80 HSD17B10 (0.44) EPHX2EPHX1RAB9ASMN1; SMN2NPC1
SCHEMBL27660924 0.80 EPHX2 (0.53) EPHX2EPHX1RAB9ASMN1; SMN2NPC1
SCHEMBL19712315 0.79 EPHX2 (0.38) EPHX2EPHX1RAB9ASMN1; SMN2NPC1
SCHEMBL6164078 0.77 TP53 (0.53) EPHX2EPHX1RAB9ASMN1; SMN2NPC1
SCHEMBL3397254 0.77 EPHX2 (1.00) EPHX2EPHX1RAB9ANPC1HPGD
SCHEMBL5051924 0.77 EPHX2 (1.00) EPHX2EPHX1RAB9ANPC1HPGD
SCHEMBL27640143 0.76 RAB9A (0.50) EPHX2EPHX1RAB9ASMN1; SMN2NPC1
SCHEMBL6166503 0.76 TP53 (0.51) EPHX2EPHX1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501937-B2 Method of producing highly functionalized 1,3-diamino-propan-2-ols from solid support JANSSEN PHARMACEUTICA, NV (BE) 2013-08-06 US disclosed
US-20120184737-A1 METHOD OF PRODUCING HIGHLY FUNCTIONALIZED 1,3-DIAMINO-PROPAN-2-OLS FROM SOLID SUPPORT COATS STEVE J (US) 2012-07-19 US disclosed
US-8168826-B2 Method of producing highly functionalized 1,3-diamino-propan-2-ols from solid support Janssen Pharamcuetica N.V. (BE) 2012-05-01 US disclosed
US-20100081806-A1 METHOD OF PRODUCING HIGHLY FUNCTIONALIZED 1,3-DIAMINO-PROPAN-2-OLS FROM SOLID SUPPORT COATS STEVE J 2010-04-01 US disclosed
US-7649055-B2 Method of producing highly functionalized 1,3-diamino-propan-2-ols from solid support JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20080281095-A1 METHOD OF PRODUCING HIGHLY FUNCTIONALIZED 1,3-DIAMINO-PROPAN-2-OLS FROM SOLID SUPPORT COATS STEVE J 2008-11-13 US disclosed
US-7408008-B2 Method of producing highly functionalized 1,3-diamino-propan-2-ols from solid support JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
CN-101128421-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-20 CN disclosed
US-20050124001-A1 Method of producing highly functionalized 1,3-diamino-propan-2-ols from solid support ULTRA CLEAN HOLDINGS, INC. 2005-06-09 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 (4 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-20080281095-A1 METHOD OF PRODUCING HIGHLY FUNCTIONALIZED 1,3-DIAMINO-PROPAN-2-OLS FROM SOLID SUPPORT HPN, DNPEP, PEPD EPHX2 535/4885EPHX1 399/4885RAB9A 4233/4885
US-20100081806-A1 METHOD OF PRODUCING HIGHLY FUNCTIONALIZED 1,3-DIAMINO-PROPAN-2-OLS FROM SOLID SUPPORT HPN, DNPEP, PEPD EPHX2 535/4885EPHX1 399/4885RAB9A 4233/4885
US-20120184737-A1 METHOD OF PRODUCING HIGHLY FUNCTIONALIZED 1,3-DIAMINO-PROPAN-2-OLS FROM SOLID SUPPORT HPN, DNPEP, PEPD EPHX2 535/4885EPHX1 399/4885RAB9A 4233/4885
US-20050124001-A1 Method of producing highly functionalized 1,3-diamino-propan-2-ols from solid support HPN, DNPEP, PEPD EPHX2 535/4885EPHX1 399/4885RAB9A 4233/4885

“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.