SCHEMBL2216672

SCHEMBL2216672

CCCCn1c2ccccc2c2cc(C(=O)O)ncc21

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.70
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
PSEN1 P49768 6/20 0.51
PSEN2 P49810 6/20 0.51
APH1B Q8WW43 6/20 0.51
NCSTN Q92542 6/20 0.51
APH1A Q96BI3 6/20 0.51
PSENEN Q9NZ42 6/20 0.51
PGR P06401 1/20 0.50
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50
RORB Q92753 1/20 0.50
FABP4 P15090 2/20 0.49
FABP5 Q01469 2/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL600250 0.96 CNR2 (0.76) CNR2ALDH1A1HPGDPSEN1PSEN2
SCHEMBL27899823 0.95 CNR2 (0.74) CNR2ALDH1A1HPGDPSEN1PSEN2
SCHEMBL13415776 0.92 ALDH1A1 (0.64) CNR2ALDH1A1HPGDPSEN1PSEN2
SCHEMBL2212614 0.87 CNR2 (0.56) CNR2ALDH1A1HPGD
SCHEMBL2215561 0.87 CNR2 (0.76) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2215826 0.86 CNR2 (0.56) CNR2ALDH1A1HPGDFABP4FABP5
SCHEMBL2212394 0.86 CNR2 (0.94) CNR2ALDH1A1HPGDPSEN1PSEN2
SCHEMBL2216831 0.85 CNR2 (0.80) CNR2ALDH1A1HPGDPSEN1PSEN2
Hydrochloric Acid SCHEMBL27891826 0.85 CNR2 (0.92) CNR2ALDH1A1HPGDPSEN1PSEN2
SCHEMBL600437 0.82 CNR2 (1.00) CNR2ALDH1A1PSEN1PSEN2APH1B

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-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 claimed
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 claimed
CN-102952151-B 3 double β carbolines alkaloid compounds, its preparation method and its pharmaceutical composition and purposes 新疆华世丹药物研究有限责任公司 2017-07-28 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-101429198-B Banisterine derivant and uses thereof XINJIANG HUASHIDAN MEDICAMENTS RES CO LTD 2013-10-23 CN disclosed
CN-102952151-A 3-position bis-beta-carboline alkali compound, and preparation method, pharmaceutical composition and application thereof XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-03-06 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-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 (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-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 CNR2 156/4885ALDH1A1 324/4885HPGD 822/4885

“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.