SCHEMBL6808938

SCHEMBL6808938

c1cc2c(nc1CN1CCOCC1)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.53
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Hydrochloric Acid SCHEMBL5774959 0.76 HTR2C (0.49) CXCR4SMN1; SMN2POLBHRH3HPGD
SCHEMBL2911347 0.75 HTR2C (0.54) SMN1; SMN2POLBCYP3A4GAAHTR2C
SCHEMBL29549874 0.74 CYP3A4 (0.44) SMN1; SMN2POLBCYP3A4HTR2CHTR2B
SCHEMBL23530014 0.74 CYP3A4 (0.44) SMN1; SMN2POLBCYP3A4HTR2CHTR2B
SCHEMBL16217182 0.74 CYP3A4 (0.41) SMN1; SMN2POLBCYP3A4HTR2CHTR2B
SCHEMBL14615209 0.73 SMN1; SMN2 (0.53) SMN1; SMN2HRH3NPC1RAB9AHTR2C
SCHEMBL14615001 0.73 SMN1; SMN2 (0.53) SMN1; SMN2HRH3NPC1RAB9AHTR2C
SCHEMBL5776366 0.71 CYP3A4 (0.38) SMN1; SMN2POLBCYP3A4HTR2CHTR2B
Hydrochloric Acid SCHEMBL2913328 0.71 HTR2C (0.40) SMN1; SMN2POLBCYP3A4HTR2CHTR2B
SCHEMBL16168344 0.71 HTR2C (0.44) SMN1; SMN2POLBCYP3A4HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists PFIZER INC 2004-07-08 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-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists ADRA1A, ADRA1D, ADRB1 CXCR4 2551/4885ALOX15 1811/4885SMN1; SMN2 4799/4885

“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.