SCHEMBL953630

SCHEMBL953630

CCC(Br)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 2/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL9789948 0.81 CHRNA7 (0.38) CHRNA7TDP1ACHELMNACYP1A2
SCHEMBL8972988 0.80 CHRNA7 (0.41) CHRNA7TDP1ACHELMNAMAPT
SCHEMBL15486101 0.80 HTR2A (0.40) TDP1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5871728 0.78 AOC3 (0.40) TDP1ACHELMNACYP1A2CYP3A4
SCHEMBL7112239 0.78 ADRB2 (0.44) TDP1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL6406590 0.78 TAAR1 (0.39) CHRNA7TDP1ACHECYP1A2ALDH1A1
SCHEMBL28493299 0.78 CHRNA7 (0.39) CHRNA7TDP1ACHELMNACYP1A2
SCHEMBL7857764 0.78 ESR1 (0.67) TDP1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7640359 0.78 HRH3 (0.45) CHRNA7TDP1ACHEALDH1A1SMN1; SMN2
SCHEMBL83018 0.77 LMNA (0.52) TDP1LMNAMEN1KMT2A

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 13 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
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
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
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
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
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
EP-0450995-B1 New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents JOUVEINAL SA (FR) 1994-06-08 EP disclosed
US-5236947-A Side effect reduction JOUVEINAL S.A. (FR) 1993-08-17 US disclosed
US-5143938-A PROPANAMINES, THEIR PHARMACOLOGICAL PROPERTIES AND THEIR APPLICATION FOR THERAPEUTIC IN PARTICULAR ANTIDIARRHEAL, PURPOSES JOUVEINAL S.A. (FR) 1992-09-01 US disclosed
EP-0450995-A1 New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents JOUVEINAL S.A. (FR) 1991-10-09 EP 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 CHRNA7 247/4885TDP1 1542/4885ACHE 218/4885

“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.