SCHEMBL609762

SCHEMBL609762

NCC[C@H](O)c1cccc(C#CCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.43
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.35
PNMT P11086 1/20 0.34
EGFR P00533 1/20 0.34
BACE1 P56817 1/20 0.33
GRM4 Q14833 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL234738 1.00 ASIC3 (0.43) ASIC3HTR2CHTR2BKMT2APNMT
SCHEMBL236559 0.92 HTR2C (0.44) ASIC3HTR2CHTR2BKMT2AEGFR
SCHEMBL236447 0.91 HTR2C (0.49) ASIC3HTR2CHTR2BKMT2AEGFR
Hydrochloric Acid SCHEMBL613637 0.89 HTR2C (0.51) ASIC3HTR2CHTR2BKMT2AEGFR
SCHEMBL236582 0.88 KMT2A (0.36) KMT2APNMTGRM4HRH1
SCHEMBL232886 0.85 HTR2C (0.36) HTR2CHTR2B
SCHEMBL235826 0.84 L3MBTL1 (0.36) HTR2CHTR2BKMT2APNMTGRM4
SCHEMBL236434 0.84 FFAR1 (0.43) KMT2AHRH1
SCHEMBL236428 0.84 FFAR1 (0.43) KMT2AHRH1
SCHEMBL233182 0.84 KCNH2 (0.40) HTR2CHTR2B

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-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ASIC3 2052/4885HTR2C 472/4885HTR2B 306/4885

“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.