SCHEMBL2216201

SCHEMBL2216201

CCCCn1c2ccccc2c2ccncc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.65
MAOB P27338 4/20 0.65
ACHE P22303 1/20 0.65
CYP2D6 P10635 1/20 0.59
PGR P06401 1/20 0.56
RORA P35398 1/20 0.56
RORC P51449 1/20 0.56
RORB Q92753 1/20 0.56
CNR2 P34972 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HASPIN Q8TF76 1/20 0.47
IDO1 P14902 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ABCB1 P08183 1/20 0.46

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
Dimethylamine SCHEMBL28599047 0.96 MAOA (0.60) MAOAMAOBACHECYP2D6PGR
Trimethylammonium SCHEMBL28596346 0.96 CYP2D6 (0.63) MAOAMAOBACHECYP2D6PGR
SCHEMBL17102952 0.95 MAOA (0.68) MAOAMAOBACHECYP2D6PGR
SCHEMBL17102956 0.94 MAOA (0.70) MAOAMAOBACHECYP2D6PGR
SCHEMBL8162588 0.94 MAOA (0.70) MAOAMAOBACHECYP2D6PGR
SCHEMBL8173126 0.94 MAOA (0.70) MAOAMAOBACHECYP2D6PGR
SCHEMBL17102941 0.94 MAOA (0.70) MAOAMAOBACHECYP2D6PGR
SCHEMBL2721051 0.90 MAOA (0.59) MAOAMAOBACHECYP2D6PGR
SCHEMBL17502355 0.90 MAOA (0.78) MAOAMAOBACHECYP2D6HDAC6
SCHEMBL17517489 0.89 MAOA (0.81) MAOAMAOBACHECYP2D6HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2924042-A1 BIS- -CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2015-09-30 EP disclosed
CN-104755078-A Application of harmine derivatives in preparation of antimicrobial agents XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2015-07-01 CN disclosed
US-8772311-B2 Harmine derivatives, intermediates used in their preparations, preparation processes and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2014-07-08 US disclosed
CN-103070862-A Application of harmine derivative in preparation of antibacterial drugs XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-05-01 CN disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX, LTD. 2010-06-10 US disclosed
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX, LTD. 2010-06-10 US disclosed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 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-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PARK7, SNCA, CHAT MAOA 130/4885MAOB 48/4885ACHE 23/4885
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 MAOA 48/4885MAOB 16/4885ACHE 208/4885

“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.