SCHEMBL16002508

SCHEMBL16002508

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.36
ACHE P22303 1/20 0.36
DRD3 P35462 1/20 0.34
MAOB P27338 3/20 0.33
KMT2A Q03164 1/20 0.31
PDE4B Q07343 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL18994583 0.92 CGAS (0.35) HTR1AACHEDRD3MAOB
SCHEMBL22761232 0.86 ACHE (0.38) ACHEDRD2HTR2A
SCHEMBL17601999 0.85 ADRA2A (0.41) HTR1AACHEPDE4BDRD2DRD1
SCHEMBL22271980 0.84 HTR1A (0.39) HTR1AACHEDRD3MAOBKMT2A
SCHEMBL22760876 0.83 ACHE (0.40) ACHEDRD2
SCHEMBL22761237 0.83 ACHE (0.36) HTR1AACHEPDE4BHTR2A
SCHEMBL17601979 0.82 CHRNA7 (0.43) HTR1AACHEPDE4BHTR2A
SCHEMBL22271831 0.82 ACHE (0.52) ACHEMAOBKMT2AMAOA
SCHEMBL16002507 0.82 ACHE (0.39) HTR1AACHEDRD3MAOBPDE4B
SCHEMBL28057669 0.81 TP53 (0.36) ACHE

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 HTR1A 1168/4885ACHE 3841/4885DRD3 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.