SCHEMBL16136133

SCHEMBL16136133

c1ccc(-c2cc3ccccc3n2C2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
NSD3 Q9BZ95 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTR6 P50406 3/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 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
SCHEMBL30344944 0.89 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL23034762 0.89 PTGS2 (0.40) KMT2AALDH1A1KDM4EHPGDHTR2A
SCHEMBL8248926 0.84 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL16311208 0.75 KMT2A (0.43) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL19543673 0.75 KMT2A (0.43) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL7536800 0.75 TRPV4 (0.41) HTR2AHTR2CHTR6SLC6A2SLC6A4
SCHEMBL23034756 0.75 OPRM1 (0.57) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL5364158 0.75 OPRM1 (0.45) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL7535641 0.74 OPRM1 (0.40) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL2423783 0.74 PDGFRB (0.41) KMT2AL3MBTL1ALDH1A1KDM4ECYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 WO 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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE KMT2A 4326/4885L3MBTL1 3851/4885NSD3 4586/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE KMT2A 4326/4885L3MBTL1 3851/4885NSD3 4586/4885

“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.