SCHEMBL2893237

SCHEMBL2893237

Cc1c(N2CCNCC2=O)nnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
TP53 P04637 3/20 0.38
ALOX12 P18054 1/20 0.38
DCTPP1 Q9H773 3/20 0.36
KHK P50053 3/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PKM P14618 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
SCHEMBL2889963 0.83 ADRB1 (0.40) ADRB1ALDH1A1KDM4ESMN1; SMN2SLC6A2
SCHEMBL532873 0.75 NPC1 (0.50) HTTALOX12HTR3EHTR3BADRB1
SCHEMBL5483719 0.75 HTT (0.47) HTTTP53ALOX12ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2854834 0.74 SLC6A2 (0.49) HTTALOX12HTR3EHTR3BADRB1
SCHEMBL14582539 0.72 HTT (0.43) HTTTP53ALOX12ALDH1A1KDM4E
SCHEMBL2887702 0.69 CSNK1E (0.45) HTTTP53ALOX12GAA
SCHEMBL2893886 0.69 GPR119 (0.42) HTTTP53ALOX12ALDH1A1LMNA
SCHEMBL12892216 0.68 ADRB1 (0.57) ADRB1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL3653056 0.67 ADRB1 (0.54) ADRB1HTR3A
SCHEMBL31176347 0.67 ADRB1 (0.54) ADRB1HTR3A

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-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B HTT 2050/4885TP53 4862/4885ALOX12 1520/4885

“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.