SCHEMBL956490

SCHEMBL956490

Cc1ccc(Sc2ccc(F)cc2)c(CCl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
HTR3A P46098 4/20 0.51
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AGBL2 Q5U5Z8 1/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
JAK2 O60674 1/20 0.39
BLM P54132 1/20 0.39
ACHE P22303 1/20 0.38
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.36
RHEB Q15382 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL11576431 0.90 HPGD (0.46) HTR1AHTR3AHPGDPKMSMN1; SMN2
SCHEMBL11756716 0.87 HTR1A (0.45) HTR1AHTR3AHPGDPKMSMN1; SMN2
SCHEMBL11763884 0.85 SLC6A4 (0.44) HTR1AHTR3AHPGDPKMSMN1; SMN2
SCHEMBL11761224 0.85 HTR1A (0.51) HTR1AHTR3AHPGDPKMSMN1; SMN2
SCHEMBL11610674 0.84 HTR1A (0.51) HTR1AHTR3AHPGDPKMSMN1; SMN2
SCHEMBL11706102 0.83 HTR1A (0.48) HTR1AHTR3AHPGDPKMSMN1; SMN2
SCHEMBL11759797 0.82 MEN1 (0.44) HTR1AHTR3AHPGDAGBL2MAPT
SCHEMBL11838305 0.81 AGBL2 (0.47) HTR1AHTR3AHPGDAGBL2MAPT
SCHEMBL11615331 0.80 HTR1A (0.48) HTR1AHTR3AHPGDPKMSMN1; SMN2
SCHEMBL11613170 0.79 AGBL2 (0.66) HTR1AHTR3AHPGDPKMSMN1; SMN2

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 12 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-4089861-A NEUROLEPTIC AGENT HOFFMANN-LA ROCHE, INC. (US) 1978-05-16 US disclosed
US-4044010-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-08-23 US disclosed
US-4035346-A ANTISTATIC E. I. DU PONT DE NEMOURS AND CO. (US) 1977-07-12 US disclosed
US-4011222-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 US disclosed
US-4006123-A Conductive aliphatic polyester or polyetherester having units containing phosphonium sulfonate groups E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-02-01 US disclosed
US-3996229-A DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1976-12-07 US disclosed
US-3966737-A NEUROLEPTIC HOFFMANN-LA ROCHE INC. (US) 1976-06-29 US disclosed
US-3954764-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-04 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 HTR1A 15/4885HTR3A 98/4885HPGD 3184/4885

“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.