SCHEMBL18463674

SCHEMBL18463674

CC(C)CN(Cc1ccc([N+](=O)O)cc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31

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
SCHEMBL18463857 0.77 CRHBP (0.36) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL25530567 0.76 TSHR (0.42) LMNATSHR
SCHEMBL17886005 0.75 AOC3 (0.44) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL18463675 0.74 CRHBP (0.30) CRHBPCRHR2
SCHEMBL13981951 0.71 HRH3 (0.52) ALDH1A1TSHRCRHBPCRHR2
SCHEMBL18463964 0.70 RIPK1 (0.36) CRHBPCRHR2
SCHEMBL18463851 0.69 CRHBP (0.39) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL12091895 0.68 ESR1 (0.54) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL11826492 0.66 CRHBP (0.48) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL13995424 0.66 CHRM2 (0.44) GAAALDH1A1LMNAMAPTNPSR1

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-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 — — US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 — — 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 (2 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-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 GAA 3173/4885ALDH1A1 2387/4885LMNA 3294/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 GAA 3173/4885ALDH1A1 2387/4885LMNA 3294/4885

“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.

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