SCHEMBL953731

SCHEMBL953731

CC(C#N)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.47
TSHR P16473 1/20 0.46
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
ALDH1A1 P00352 1/20 0.42
SRD5A2 P31213 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL24106552 0.84 PTGS1 (0.57) LTA4HTSHRACACBACACAALDH1A1
SCHEMBL31542598 0.84 PTGS1 (0.57) LTA4HTSHRACACBACACAALDH1A1
SCHEMBL7035268 0.84 PTGS1 (0.57) LTA4HTSHRACACBACACAALDH1A1
SCHEMBL15978566 0.84 PTGS1 (0.57) LTA4HTSHRACACBACACAALDH1A1
SCHEMBL7039581 0.81 TSHR (0.52) TSHRALDH1A1CYP2D6
SCHEMBL156029 0.81 TSHR (0.52) TSHRALDH1A1CYP2D6
SCHEMBL198507 0.81 TSHR (0.52) TSHRALDH1A1CYP2D6
SCHEMBL28208618 0.81 TSHR (0.52) TSHRALDH1A1CYP2D6
SCHEMBL909548 0.79 TRPA1 (0.50) TSHRALDH1A1CYP2D6
SCHEMBL11439828 0.79 NPY5R (0.47) LTA4HTSHRACACBACACAALDH1A1

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
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
US-4393008-A 2-Cyano-2-(3-phenoxy-phenyl)-propionic acid amide and preparation thereof CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1983-07-12 US disclosed
US-4304930-A Process for the preparation of 2-(3-phenoxy-phenyl)-propionic acid CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT (HU) 1981-12-08 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-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B LTA4H 3222/4885TSHR 222/4885ACACB 834/4885

“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.