SCHEMBL9948825

SCHEMBL9948825

COc1ccc(-c2cn(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.55
HCRTR2 O43614 11/20 0.55
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL9949217 0.90 HCRTR1 (0.59) HCRTR1HCRTR2KMT2AHPGDHSD17B10
SCHEMBL9948927 0.88 HCRTR1 (0.61) HCRTR1HCRTR2KMT2ACYP1A2MAPT
SCHEMBL9948999 0.88 HCRTR1 (0.55) HCRTR1HCRTR2KMT2ASLC6A2SLC6A3
SCHEMBL9948904 0.87 HCRTR1 (0.57) HCRTR1HCRTR2CES2
SCHEMBL12700481 0.87 HCRTR1 (0.61) HCRTR1HCRTR2ALDH1A1KDM4EHPGD
SCHEMBL9948786 0.87 HCRTR1 (0.72) HCRTR1HCRTR2ALDH1A1SLC6A2SLC6A3
SCHEMBL9949343 0.86 HCRTR1 (0.62) HCRTR1HCRTR2KMT2AMEN1SLC6A2
SCHEMBL9949033 0.85 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL9948996 0.85 HCRTR1 (0.53) HCRTR1HCRTR2KMT2ACYP1A2SLC6A2
SCHEMBL9949052 0.85 HCRTR1 (0.55) HCRTR1HCRTR2KMT2AMEN1MAPT

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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US claimed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 HCRTR1 593/4885HCRTR2 607/4885KMT2A 1555/4885

“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.