SCHEMBL3219686

SCHEMBL3219686

Brc1ccccc1OCC1=CCN(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR7 P34969 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
SCHEMBL1588617 0.87 ALDH1A1 (0.42) LMNAALDH1A1MAPTHPGDATM
SCHEMBL10268708 0.84 MAOB (0.43) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL3227841 0.82 HTR2C (0.41) LMNAALDH1A1SIGMAR1KDM4EKMT2A
SCHEMBL3232743 0.82 HTR2C (0.41) LMNAALDH1A1MAPTSIGMAR1KDM4E
SCHEMBL1587951 0.77 KDM4E (0.42) LMNAALDH1A1HTR1ASIGMAR1KDM4E
SCHEMBL2801222 0.76 CCNT1 (0.42) LMNAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL2801046 0.76 CCNT1 (0.44) LMNAMAPTKDM4EMEN1NPC1
SCHEMBL10268787 0.75 LMNA (0.42) LMNAALDH1A1MAPTHPGDHTR1A
SCHEMBL21254439 0.74 DRD2 (0.43) LMNAALDH1A1SIGMAR1KDM4EMEN1
SCHEMBL13845126 0.74 OPRM1 (0.44) LMNAALDH1A1SIGMAR1KDM4EMEN1

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-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 LMNA 400/4885ALDH1A1 535/4885MAPT 4738/4885

“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.