SCHEMBL953112

SCHEMBL953112

N#CCc1ccccc1Sc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.58
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
HTR1A P08908 2/20 0.43
HTR3A P46098 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8590717 0.86 CHRNA7 (0.49) SLC6A4MAOAMAOBCYP2C9HTR1A
SCHEMBL11252021 0.83 LMNA (0.44) SLC6A4CYP1A2CYP3A4CYP2C9HTR1A
SCHEMBL11471494 0.83 HTR1A (0.46) SLC6A4HTR1AHTR3AALDH1A1LMNA
SCHEMBL4437147 0.82 ALDH1A1 (0.46) SLC6A4CYP1A2CYP3A4CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL4556353 0.80 ALDH1A1 (0.44) SLC6A4CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL6937792 0.80 MEN1 (0.65) SLC6A4HTR1AHTR3AMEN1KMT2A
SCHEMBL11487186 0.79 AR (0.42) SLC6A4HTR1AHTR3AMEN1KMT2A
SCHEMBL11705626 0.79 SLC6A4 (0.65) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5659555 0.79 MAP2K2 (0.46) SLC6A4CYP2C9ALDH1A1LMNAMEN1
SCHEMBL11760701 0.78 HTR1A (0.47) SLC6A4MAOAMAOBCYP1A2CYP3A4

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
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
EP-0013424-B1 SPIRO(DIBENZO(B,F)THIEPINE-PIPERIDINES), INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-17 EP disclosed
EP-0013424-A1 Spiro(dibenzo(b,f)thiepine-piperidines), intermediate products for their preparation and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-23 EP disclosed
US-4198420-A Spiro[dibenz(b,f)thiepin-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 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 SLC6A4 84/4885MAOA 29/4885MAOB 17/4885

“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.