SCHEMBL2225622

SCHEMBL2225622

O=C(O)N1CCN(c2nccc(-c3ccccc3)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.65
SORD Q00796 1/20 0.57
SLC6A7 Q99884 6/20 0.55
HCRTR1 O43613 8/20 0.55
HCRTR2 O43614 8/20 0.55
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
DGAT1 O75907 1/20 0.50
PIK3CA P42336 1/20 0.49
FAAH O00519 1/20 0.48

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
SCHEMBL29931574 0.84 HCAR2 (0.50) HCAR2SORDSLC6A7HCRTR1HCRTR2
SCHEMBL3274585 0.82 ACHE (0.66) HCAR2SORDSLC6A7HCRTR1HCRTR2
SCHEMBL1275203 0.81 SORD (0.61) HCAR2SORDALDH1A1
SCHEMBL14507090 0.80 ALDH1A1 (0.60) HCAR2SORDALDH1A1TSHRDGAT1
SCHEMBL11394885 0.80 KDM4E (0.46) HCAR2SLC6A7ALDH1A1TSHR
SCHEMBL13666076 0.80 HCAR2 (1.00) HCAR2DGAT1
SCHEMBL29931553 0.79 KDM4E (0.52) HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL29931561 0.79 DYRK1A (0.47) HCAR2SLC6A7HCRTR1HCRTR2ALDH1A1
SCHEMBL3268636 0.79 FAAH (0.78) HCAR2DGAT1FAAH
SCHEMBL3269187 0.79 HCAR2 (0.66) HCAR2ALDH1A1DGAT1FAAH

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-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HCAR2 3017/4885SORD 4173/4885SLC6A7 2515/4885

“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.