SCHEMBL2948774

SCHEMBL2948774

COc1cccc(CC(C)NO)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.65
ADRB2 P07550 2/20 0.58
CHRM2 P08172 2/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
SLC2A1 P11166 1/20 0.49
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.47
CASR P41180 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
SCHEMBL14655805 0.85 TAAR1 (0.67) TAAR1ADRB2CHRM2CHRM1CHRM3
SCHEMBL5954569 0.84 SIGMAR1 (0.54) TAAR1ADRB2CHRM2SLC2A1HDAC1
SCHEMBL4031646 0.84 ADRB2 (0.62) TAAR1ADRB2CHRM2CHRM1CHRM3
SCHEMBL8783348 0.84 FFAR1 (0.54) ALDH1A1HTTSMN1; SMN2
SCHEMBL28244453 0.81 MTNR1A (0.66) TAAR1ADRB2
SCHEMBL27922345 0.81 MTNR1A (0.66) TAAR1ADRB2
SCHEMBL9071087 0.81 TAAR1 (0.71) TAAR1ADRB2CHRM2CHRM1CHRM3
SCHEMBL29365903 0.81 TAAR1 (0.71) TAAR1ADRB2CHRM2CHRM1CHRM3
SCHEMBL11333474 0.81 TAAR1 (0.71) TAAR1ADRB2CHRM2CHRM1CHRM3
SCHEMBL2427142 0.81 TAAR1 (0.71) TAAR1ADRB2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692096-B1 HYDROXYLAMINE DERIVATIVES NEWRON PHARM SPA (IT) 2013-04-03 EP claimed
US-20100197799-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-08-05 US claimed
US-20070049643-A1 Hydroxylamine derivatives VICURON PHARMACEUTICALS INC. 2007-03-01 US claimed
EP-1541547-A1 Hydroxylamine derivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-15 EP claimed
EP-1692096-B1 HYDROXYLAMINE DERIVATIVES NEWRON PHARM SPA (IT) 2013-04-03 EP disclosed
US-20100197799-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-08-05 US disclosed
US-7763751-B2 Hydroxylamine derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-07-27 US disclosed
US-20070049643-A1 Hydroxylamine derivatives VICURON PHARMACEUTICALS INC. 2007-03-01 US disclosed
EP-1692096-A1 HYDROXYLAMINE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-23 EP disclosed
WO-2005058800-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-30 WO disclosed
EP-1541547-A1 Hydroxylamine derivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-15 EP 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 (2 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-20100197799-A1 HYDROXYLAMINE DERIVATIVES C9, C1S, HTT TAAR1 718/4885ADRB2 261/4885CHRM2 16/4885
US-20070049643-A1 Hydroxylamine derivatives C9, C1S, HTT TAAR1 707/4885ADRB2 238/4885CHRM2 20/4885

“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.