SCHEMBL3966764

SCHEMBL3966764

NCCCN1CCC(N)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.59
GNAO1 P09471 1/20 0.59
GNAI1 P63096 1/20 0.59
KEAP1 Q14145 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SPHK1 Q9NYA1 1/20 0.42
ALOX15 P16050 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
CYP2D6 P10635 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ACE2 Q9BYF1 1/20 0.38
CHRM3 P20309 1/20 0.37

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 SCHEMBL3668361 0.98 GNAI3 (0.62) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2
SCHEMBL4030838 0.86 KEAP1 (0.58) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2
SCHEMBL3973508 0.85 ALOX15 (0.60) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2
SCHEMBL5324155 0.84 GNAI3 (0.57) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2
Hydrochloric Acid SCHEMBL29056645 0.84 KEAP1 (0.56) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2
Hydrochloric Acid SCHEMBL3673025 0.83 ALOX15 (0.57) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2
SCHEMBL23448772 0.81 GNAI3 (0.59) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1
SCHEMBL1290862 0.79 CARM1 (0.52) KEAP1SMN1; SMN2SIGMAR1HRH3
SCHEMBL4035833 0.79 KEAP1 (0.50) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2
SCHEMBL2297876 0.79 KEAP1 (0.50) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101500594-A Methods and compositions for treating ophthalmic conditions via modulation of megalin activity SIRION THERAPEUTICS INC (US) 2009-08-05 CN disclosed
WO-2009052708-A1 1-(3-AMINO-PROPYL)-PIPERIDIN-4-YL-AMIDES, PHARMACEUTICAL COMPOSITIONS, PROCESSES FOR THEIR PREPARATION AND USES SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2009-04-30 WO disclosed
WO-2009052708-A1 1-(3-AMINO-PROPYL)-PIPERIDIN-4-YL-AMIDES, PHARMACEUTICAL COMPOSITIONS, PROCESSES FOR THEIR PREPARATION AND USES SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2009-04-30 WO disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 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-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY ALDH1A2, PDE6C, EYA2 GNAI3 1816/4885GNAO1 407/4885GNAI1 1329/4885

“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.