SCHEMBL16002507

SCHEMBL16002507

C#CCOc1cc2c(cc1OCC#C)-c1cccc(CC)c1N(C)C2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
HTR1A P08908 6/20 0.38
DRD3 P35462 1/20 0.37
PDE4B Q07343 2/20 0.36
HTR2A P28223 3/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
MAOB P27338 2/20 0.34
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL18994579 0.91 HTR1A (0.35) ACHEHTR1ADRD3PDE4BHTR2A
SCHEMBL22271980 0.86 HTR1A (0.39) ACHEHTR1ADRD3PDE4BHTR2A
SCHEMBL17602006 0.84 ACHE (0.54) ACHE
SCHEMBL16002508 0.82 HTR1A (0.36) ACHEHTR1ADRD3PDE4BHTR2A
SCHEMBL17601981 0.81 ADRA2A (0.40) ACHEHTR1APDE4BHTR2AHTR7
SCHEMBL15993833 0.81 CHRNA7 (0.47) ACHEHTR1APDE4BHTR2AHTR7
SCHEMBL15993797 0.80 PDE4B (0.39) ACHEHTR1APDE4BHTR2AHTR7
SCHEMBL17602002 0.79 ABCB1 (0.44) ACHEMAPT
SCHEMBL15993923 0.79 ACHE (0.41) ACHEHTR2ADRD2DRD1
SCHEMBL15993784 0.78 ACHE (0.40) ACHEHTR2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US claimed
US-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-24 US claimed
US-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US disclosed
US-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US disclosed
US-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US disclosed
US-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-24 US disclosed
US-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-24 US disclosed
WO-2014131368-A1 PHENANTHRIDINE DERIVATIVES, PREPARATION METHODS THEREFOR AND USES THEREOF 中国科学院昆明植物研究所 (CN) 2014-09-04 WO 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-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CTNNB1, WNT3A, WNT1 ACHE 3841/4885HTR1A 1168/4885DRD3 3729/4885

“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.