SCHEMBL16201631

SCHEMBL16201631

CC(C)c1c2n(c3ccccc13)CCN(C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
HTR2A P28223 4/20 0.37
HTR2C P28335 3/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
SLC6A2 P23975 2/20 0.37
DRD3 P35462 2/20 0.37
HRH1 P35367 2/20 0.37
HTR6 P50406 2/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL12563374 0.78 HTR2C (0.42) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL16201666 0.77 CYP1A2 (0.43) CYP1A2CYP2D6MAOAMAOBHTR2A
SCHEMBL16201654 0.77 TLR9 (0.37) HRH1HTR6
SCHEMBL12563372 0.76 HTR2A (0.41) HTR2AHTR2CHTR6SIGMAR1KDM4E
SCHEMBL16201627 0.76 CHRNA7 (0.37) CYP1A2CYP2D6CHRM2CHRNA7ALDH1A1
SCHEMBL19930209 0.75 HTR2A (0.35) MTNR1AMTNR1BCYP1A2CYP2D6HTR2A
SCHEMBL16201672 0.74 THRB (0.30) MTNR1AMTNR1B
SCHEMBL16201671 0.73 PRKCB (0.34) CYP1A2CYP2D6ALDH1A1GAAKDM4E
SCHEMBL16201628 0.70 PDE4A (0.36) ALDH1A1GAATSHRKDM4E
SCHEMBL16201625 0.69 LMNA (0.31) CHRM2CHRNA7TSHRKDM4E

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-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 MTNR1A 4023/4885MTNR1B 4200/4885CYP1A2 3067/4885

“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.