SCHEMBL17482129

SCHEMBL17482129

Cc1ccc(CN2CCCOC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
CXCR4 P61073 1/20 0.50
HRH3 Q9Y5N1 7/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL20901800 0.86 HRH3 (0.65) ALDH1A1LMNAPOLBCXCR4HRH3
SCHEMBL10199478 0.82 SIGMAR1 (0.55) ALDH1A1LMNAPOLBHRH3
SCHEMBL21983550 0.82 ALDH1A1 (0.47) ALDH1A1LMNAPOLBHRH3
SCHEMBL13215736 0.79 ALDH1A1 (0.70) ALDH1A1LMNAPOLBCXCR4HRH3
SCHEMBL1046331 0.79 ALDH1A1 (0.70) ALDH1A1LMNAPOLBCXCR4HRH3
SCHEMBL11852 0.79 HRH3 (0.74) ALDH1A1LMNAPOLBCXCR4HRH3
SCHEMBL11864 0.78 HRH3 (0.71) ALDH1A1LMNAPOLBHRH3KMT2A
SCHEMBL329323 0.77 HRH3 (0.78) ALDH1A1LMNAPOLBCXCR4HRH3
SCHEMBL1045595 0.77 ALDH1A1 (0.74) ALDH1A1LMNAPOLBCXCR4HRH3
SCHEMBL1045984 0.77 ALDH1A1 (0.74) ALDH1A1LMNAPOLBCXCR4HRH3

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-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2019-03-28 US disclosed
US-20160032038-A1 POLYMERIC IONIC SALT CATALYSTS AND METHODS OF PRODUCING THEREOF MIDORI USA, INC. (US) 2016-02-04 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-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS ALDH1A1 367/4885LMNA 2970/4885POLB 595/4885

“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.