SCHEMBL2215558

SCHEMBL2215558

CCCCn1c2ccccc2c2cc(C(=O)O)nc(C)c21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.50
PGR P06401 1/20 0.48
RORA P35398 1/20 0.48
RORC P51449 1/20 0.48
RORB Q92753 1/20 0.48
ALDH1A1 P00352 4/20 0.47
PSEN1 P49768 4/20 0.47
PSEN2 P49810 4/20 0.47
APH1B Q8WW43 4/20 0.47
NCSTN Q92542 4/20 0.47
APH1A Q96BI3 4/20 0.47
PSENEN Q9NZ42 4/20 0.47
CNR1 P21554 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL27899832 0.95 CNR2 (0.53) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2213030 0.88 SIGMAR1 (0.45) CNR2CNR1
SCHEMBL2216231 0.88 PTGER4 (0.54) ALDH1A1HPGDKDM4ELMNA
SCHEMBL4172231 0.87 CNR2 (0.64) CNR2PGRRORARORCRORB
SCHEMBL2218129 0.87 PGR (0.47) CNR2PGRRORARORCRORB
SCHEMBL2216828 0.86 PGR (0.46) CNR2PGRRORARORCRORB
SCHEMBL27917571 0.85 CNR2 (0.45) CNR2PGRRORARORCRORB
SCHEMBL30252733 0.85 CNR2 (0.49) CNR2PGRRORARORCRORB
SCHEMBL2215283 0.83 CYP19A1 (0.49) ALDH1A1KDM4E
SCHEMBL27908718 0.82 PGR (0.51) CNR2PGRRORARORCRORB

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 4 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-103070862-A Application of harmine derivative in preparation of antibacterial drugs XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-05-01 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

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 156/4885PGR 2391/4885RORA 1733/4885

“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.