SCHEMBL3786337

SCHEMBL3786337

Nc1ccc(C2CCCCC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
CYP2D6 P10635 1/20 0.49
BACE1 P56817 1/20 0.47
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
ACMSD Q8TDX5 2/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 3/20 0.40
EPHX2 P34913 1/20 0.39
KMO O15229 1/20 0.39
LRRK2 Q5S007 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL3781164 0.98 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3789570 0.94 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL854929 0.90 CYP3A4 (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3786150 0.85 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3784662 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3985023 0.82 BACE1 (0.51) BACE1ALDH1A1ACMSDHDAC1HDAC2
SCHEMBL4331978 0.82 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL11297575 0.81 QDPR (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL14167556 0.81 CYP2D6 (0.67) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15335800 0.79 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 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 (2 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 SLC6A2 600/4885SLC6A4 879/4885SLC6A3 771/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 SLC6A2 2280/4885SLC6A4 3330/4885SLC6A3 2019/4885

“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.