SCHEMBL4175899

SCHEMBL4175899

CCCCOC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.71
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
PSEN1 P49768 8/20 0.47
PSEN2 P49810 8/20 0.47
APH1B Q8WW43 8/20 0.47
NCSTN Q92542 8/20 0.47
APH1A Q96BI3 8/20 0.47
PSENEN Q9NZ42 8/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47

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
SCHEMBL2216831 0.92 CNR2 (0.80) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2215960 0.91 CNR2 (0.79) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2214559 0.89 CNR2 (0.66) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2213176 0.87 CNR2 (0.71) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2212394 0.84 CNR2 (0.94) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL600437 0.83 CNR2 (1.00) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL27891826 0.83 CNR2 (0.92) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2214367 0.83 CNR2 (0.66) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2215826 0.83 CNR2 (0.56) CNR2ALDH1A1KDM4EHPGDGABRP
SCHEMBL28868382 0.83 CNR2 (0.98) CNR2ALDH1A1KDM4EPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 324/4885MAPT 1483/4885

“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.