SCHEMBL2487489

SCHEMBL2487489

CCC(=C(C(=O)O)C(=O)O)N(CC)c1cc(F)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F2R P25116 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
BCHE P06276 1/20 0.30
TSPO P30536 2/20 0.30
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL31479217 0.77 MLYCD (0.42) TSHRPKMMEN1KMT2AF2R
SCHEMBL8622658 0.72 EPHX2 (0.36) TSHRALDH1A1GLA
SCHEMBL9537232 0.70 TSHR (0.33) TSHRALDH1A1GLA
SCHEMBL31479126 0.70 SMN1; SMN2 (0.39) TSHRPKMKMT2AF2RALDH1A1
SCHEMBL27835655 0.69 HTR2A (0.33) PKMF2R
SCHEMBL1429977 0.69 ALDH1A1 (0.44) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL17769749 0.67 TSHR (0.43) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL14631806 0.65 ALDH1A1 (0.42) PKMMEN1KMT2AALDH1A1HPGD
SCHEMBL27583391 0.64 F2R (0.48) PKMMEN1KMT2AF2RFFAR1
SCHEMBL30602366 0.64 PSEN1 (0.35) TSHRPKMKMT2AALDH1A1NPC1

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-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
EP-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US 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-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators CHRM1, OPRL1, MTNR1A TSHR 1037/4885PKM 3143/4885MEN1 2827/4885

“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.