SCHEMBL1307266

SCHEMBL1307266

CC1CN(Cc2ccccc2)CCN1CC#N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.51
SIGMAR1 Q99720 2/20 0.47
ACHE P22303 1/20 0.46
MC4R P32245 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5857678 1.00 HRH2 (0.51) HRH2SIGMAR1ACHEMC4RDRD2
SCHEMBL5692251 0.85 HRH2 (0.66) HRH2SIGMAR1ACHEMC4RLMNA
SCHEMBL20284487 0.85 HRH2 (0.66) HRH2SIGMAR1ACHEMC4RLMNA
SCHEMBL14528083 0.85 HRH2 (0.66) HRH2SIGMAR1ACHEMC4RLMNA
SCHEMBL1309373 0.78 HRH2 (0.52) HRH2SIGMAR1ACHEMC4RLMNA
SCHEMBL22699692 0.78 CYP2D6 (0.35) SIGMAR1
SCHEMBL25154769 0.77 SIGMAR1 (0.55) HRH2SIGMAR1ACHEMC4RDRD4
SCHEMBL14645859 0.77 SIGMAR1 (0.68) HRH2SIGMAR1
SCHEMBL1307217 0.76 SIGMAR1 (0.69) SIGMAR1ACHEMC4RDRD4LMNA
SCHEMBL26428058 0.76 HRH2 (0.50) HRH2SIGMAR1ACHEMC4R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO disclosed
US-7087610-B2 Benzothiazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
WO-2005120508-A1 BENZOTHIAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-22 WO disclosed
US-20050272734-A1 Benzothiazole antiviral agents VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-12-08 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 (2 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 HRH2 2268/4885SIGMAR1 4605/4885ACHE 3323/4885
US-20050272734-A1 Benzothiazole antiviral agents ZC3HAV1, MAVS, SAMHD1 HRH2 2485/4885SIGMAR1 2223/4885ACHE 3732/4885

“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.