SCHEMBL1852996

SCHEMBL1852996

Cc1ccc(-c2cc(N)n(C(=O)OC(C)(C)C)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK3 P07288 10/20 0.44
F2 P00734 1/20 0.40
PIK3CA P42336 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.35
CFTR P13569 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1853581 0.85 KLK3 (0.61) KLK3F2PIK3CA
SCHEMBL1852959 0.82 TSHR (0.50) KLK3NPC1RAB9AMEN1MAPT
SCHEMBL1862123 0.81 HTT (0.53) KLK3NPC1RAB9AMEN1GAA
SCHEMBL23910450 0.81 KLK3 (0.41) KLK3TSHRKDRALDH1A1MAPK1
SCHEMBL1857851 0.80 PIK3CA (0.42) KLK3F2PIK3CAMEN1KMT2A
SCHEMBL1855868 0.79 POLB (0.43) KLK3F2PIK3CANPC1RAB9A
SCHEMBL1853936 0.78 MAP2K4 (0.37) PIK3CARETKDRCFTRSLC22A12
SCHEMBL174902 0.78 ALDH1A1 (0.43) MEN1CYP2C9CYP2C19KMT2ATSHR
SCHEMBL15124257 0.76 HSP90AA1 (0.34) KLK3PIK3CAMEN1KMT2AHTT
SCHEMBL1855123 0.76 KLK3 (0.44) KLK3PIK3CAALDH1A1HTTSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 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-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 KLK3 3112/4885F2 4753/4885PIK3CA 1993/4885

“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.