SCHEMBL16385656

SCHEMBL16385656

CC(=O)Nc1cc(N)ccc1C1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.49
HTR1B P28222 9/20 0.49
HTR1F P30939 5/20 0.49
HTR1A P08908 4/20 0.49
FASN P49327 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CHRM3 P20309 2/20 0.40
SLC18A3 Q16572 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13478358 0.89 ALDH1A1 (0.51) FASNALDH1A1HDAC3HDAC1HDAC2
SCHEMBL2482489 0.84 RAD52 (0.42) FASNALDH1A1
SCHEMBL26640838 0.76 HTR1D (0.47) HTR1DHTR1BHTR1FHTR1AALDH1A1
SCHEMBL10126893 0.75 WDR5 (0.56) ALDH1A1
SCHEMBL27903672 0.73 HTR1D (0.50) HTR1DHTR1BHTR1FHTR1AFASN
SCHEMBL522141 0.73 HTR1D (0.56) HTR1DHTR1BHTR1FALDH1A1
SCHEMBL3313895 0.73 PIK3C3 (0.50) ALDH1A1L3MBTL1
SCHEMBL10126927 0.73 WDR5 (0.49) ALDH1A1ATR
SCHEMBL26040667 0.73 HTR1D (0.52) HTR1DHTR1BHTR1F
SCHEMBL12073521 0.72 HTR1D (0.55) HTR1DHTR1BHTR1FALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783524-B2 Protein tyrosine kinase modulators and methods of use BETTA PHARMACEUTICALS CO., LTD. (CN) 2017-10-10 US disclosed
US-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2016-05-26 US disclosed
WO-2015003658-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2015-01-15 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 (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-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE ALK, EGFR, ERBB2 HTR1D 3083/4885HTR1B 2574/4885HTR1F 2814/4885

“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.