SCHEMBL6970154

SCHEMBL6970154

CN(c1ccccc1)c1ccccc1.[N]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
NR3C2 P08235 1/20 0.50
LMNA P02545 2/20 0.45
S1PR4 O95977 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
CCR6 P51684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR9 Q9NR96 1/20 0.45
EGFR P00533 1/20 0.43
PTPN1 P18031 1/20 0.43
CES1 P23141 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL31886 0.97 MEN1 (0.52) CHKAMEN1KMT2AHTTNR3C2
SCHEMBL20385081 0.97 MEN1 (0.52) CHKAMEN1KMT2AHTTNR3C2
SCHEMBL22931682 0.97 MEN1 (0.52) CHKAMEN1KMT2AHTTNR3C2
Benzene SCHEMBL14537401 0.97 MEN1 (0.52) CHKAMEN1KMT2AHTTNR3C2
SCHEMBL6567354 0.97 MEN1 (0.52) CHKAMEN1KMT2AHTTNR3C2
Water SCHEMBL10783463 0.93 CHKA (0.50) CHKAMEN1KMT2AHTTNR3C2
Iodide SCHEMBL28626203 0.93 CHKA (0.50) CHKAMEN1KMT2AHTTNR3C2
SCHEMBL7155149 0.93 NR3C2 (0.56) CHKAMEN1KMT2AHTTNR3C2
Water SCHEMBL10955435 0.93 CHKA (0.50) CHKAMEN1KMT2AHTTNR3C2
Hydrochloric Acid SCHEMBL1764754 0.93 CHKA (0.50) CHKAMEN1KMT2AHTTNR3C2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863136-B1 Derivatives of azetidine and pyrrolidine AKZO NOBEL NV (NL) 2003-09-24 EP disclosed
US-6403573-B1 BICYCLIC-CARBO OR HETERO OXY OR BICYCLIC CARBO OR HETERO SULFIDE CONTAINING PYRROLIDINE/AZETIDINE DERIVATIVES USED AS ANTIDEPRESSANT OR PREVENTING SEROTONIN-RELATED DISEASES AKZO NOBEL N.V. (NL) 2002-06-11 US disclosed
US-20020040016-A1 Derivatives of azetidine and pyrrolidine MERCK SHARP & DOHME B.V. (NL) 2002-04-04 US disclosed
US-6281243-B1 ANTIDEPRESSANTS, ANTISEROTONINE AGENT AKZO NOBEL N.V. (NL) 2001-08-28 US disclosed
WO-1999043647-A1 DERIVATIVES OF AZETIDINE AND PYRROLIDINE AKZO NOBEL N.V. (NL) 1999-09-02 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-20020040016-A1 Derivatives of azetidine and pyrrolidine TPH1, TPH2, HTR1D CHKA 3331/4885MEN1 3923/4885KMT2A 2458/4885

“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.