SCHEMBL779741

SCHEMBL779741

OC1(c2ncc[nH]2)CCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1B1 P15121 1/20 0.38
KDM1A O60341 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP17A1 P05093 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 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
SCHEMBL9531758 0.91 TSHR (0.40) ADRA1AADRA2AADRA1DADRA1BCYP3A4
SCHEMBL9298985 0.80 HDAC9 (0.43) ADRA1AADRA2AADRA1DADRA1BCYP3A4
SCHEMBL4133169 0.74 CYP3A4 (0.58) CYP3A4AKR1B1KDM1ASIGMAR1ADORA3
SCHEMBL14969273 0.74 TP53 (0.33) ADRA1AADRA2ATSHRTP53CYP11B1
SCHEMBL769157 0.73 TSHR (0.40) ADRA1AADRA2AADRA1DADRA1BCYP3A4
SCHEMBL6316631 0.73 PGR (0.47) CYP3A4TSHRMEN1CYP2D6CYP2C19
SCHEMBL768782 0.71 AKR1B1 (0.40) AKR1B1KDM1ASIGMAR1ADORA3
SCHEMBL779503 0.71 ADRA2A (0.46) ADRA2AADRA1BAKR1B1KDM1AADORA3
SCHEMBL768915 0.71 TSHR (0.40) CYP3A4TSHRMEN1CYP2D6CYP2C9
SCHEMBL779687 0.69 KDM1A (0.38) KDM1ASIGMAR1

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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
EP-0341846-B1 AZOLE DERIVATIVES OF SPIROHETEROCYCLES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1993-08-18 EP disclosed
US-5211736-A Fungicide, plant growth regulator UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-05-18 US disclosed
US-5106409-A Fungicides, plant growth regulators UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-04-21 US disclosed
US-4943311-A Azole derivatives of spiroheterocycles UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-07-24 US disclosed
EP-0341846-A2 Azole derivatives of spiroheterocycles UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-11-15 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 (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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 ADRA1A 188/4885ADRA2A 102/4885ADRA1D 66/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ADRA1A 203/4885ADRA2A 106/4885ADRA1D 35/4885

“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.