SCHEMBL5649082

SCHEMBL5649082

CCOc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2ncccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
PDE5A O76074 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
UBE2N P61088 1/20 0.46
NAMPT P43490 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5653271 0.93 CYP2D6 (0.61) CYP2D6CYP2C9TSHRHSD17B10SMN1; SMN2
SCHEMBL5647370 0.89 POLB (0.51) CYP2D6CYP2C9TSHRUSP2HTT
SCHEMBL5649561 0.88 TSHR (0.52) CYP2D6CYP2C9TSHRUSP2HTT
SCHEMBL5649790 0.88 CYP2D6 (0.52) CYP2D6CYP2C9TSHRUSP2HTT
SCHEMBL5651583 0.87 SMN1; SMN2 (0.50) CYP2D6CYP2C9TSHRSMN1; SMN2ALDH1A1
SCHEMBL5653250 0.86 TSHR (0.55) CYP2D6CYP2C9TSHRUSP2HTT
SCHEMBL5651323 0.84 TSHR (0.53) CYP2D6CYP2C9TSHRUSP2HTT
SCHEMBL5651548 0.84 PDE5A (0.54) HSD17B10PDE5AALDH1A1KDM4EMEN1
SCHEMBL5650259 0.83 MEN1 (0.57) CYP2D6CYP2C9TSHRUSP2HTT
SCHEMBL5650235 0.83 CYP2C9 (0.56) CYP2D6CYP2C9TSHRUSP2HTT

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-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 CYP2D6 3252/4885CYP2C9 3314/4885TSHR 161/4885

“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.