SCHEMBL13246352

SCHEMBL13246352

Cc1ccc(OCCCCCCN2CCN(C)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.72
USP2 O75604 1/20 0.72
ALDH1A1 P00352 1/20 0.72
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.60
TP53 P04637 1/20 0.58
HRH3 Q9Y5N1 4/20 0.57
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL20231646 1.00 HPGD (0.72) HPGDUSP2ALDH1A1RAB9ANPC1
SCHEMBL12835031 0.98 HPGD (0.74) HPGDUSP2ALDH1A1RAB9ANPC1
SCHEMBL8360712 0.93 RAB9A (0.68) HPGDUSP2ALDH1A1RAB9ANPC1
SCHEMBL491546 0.89 MEN1 (0.71) HRH3MEN1LMNAHTTKMT2A
SCHEMBL10200144 0.89 MEN1 (0.71) HRH3MEN1LMNAHTTKMT2A
SCHEMBL10191921 0.88 LTA4H (0.65) HPGDUSP2ALDH1A1RAB9ANPC1
SCHEMBL12835095 0.87 HRH3 (0.73) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5857286 0.87 MEN1 (0.69) HRH3MEN1LMNAHTTKMT2A
SCHEMBL13246342 0.87 HRH3 (0.71) HRH3MEN1LMNAHTTKMT2A
SCHEMBL20231184 0.86 RAB9A (0.59) HPGDUSP2ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2010-06-24 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 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 (3 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-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES RNMT, VEGFA, VHL HPGD 1096/4885USP2 1985/4885ALDH1A1 1851/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF HPGD 2852/4885USP2 4034/4885ALDH1A1 1537/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF HPGD 1661/4885USP2 1190/4885ALDH1A1 1035/4885

“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.