SCHEMBL2213030

SCHEMBL2213030

Cc1nc(C(=O)O)cc2c3ccccc3n(CCCc3ccccc3)c12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
EHMT2 Q96KQ7 2/20 0.43
EHMT1 Q9H9B1 1/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
FABP4 P15090 2/20 0.42
FABP5 Q01469 2/20 0.42
PLA2G2A P14555 2/20 0.41
SRC P12931 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
PTGER4 P35408 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL2215558 0.88 CNR2 (0.50) CNR2CNR1
SCHEMBL2214758 0.88 CNR2 (0.54) CNR2PLA2G2APTGER4
SCHEMBL27899832 0.86 CNR2 (0.53) CNR2CNR1
SCHEMBL2215283 0.86 CYP19A1 (0.49) FABP4PLA2G2A
SCHEMBL2214021 0.86 PLA2G2A (0.43) SIGMAR1CNR2PLA2G2A
SCHEMBL27908715 0.84 SIGMAR1 (0.49) SIGMAR1SRCPRKACAPRKACGPRKACB
SCHEMBL2216231 0.83 PTGER4 (0.54) PTGER4
SCHEMBL27939731 0.83 SIGMAR1 (0.46) SIGMAR1CNR2CNR1PLA2G2ASRC
SCHEMBL27979927 0.82 SIGMAR1 (0.47) SIGMAR1SRCPRKACAPRKACGPRKACB
SCHEMBL27979773 0.82 SIGMAR1 (0.45) SIGMAR1CNR2CNR1PLA2G2ASRC

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 6 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
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
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 SIGMAR1 36/4885EHMT2 1039/4885EHMT1 919/4885

“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.