SCHEMBL2073992

SCHEMBL2073992

Clc1ccc(B2Oc3ccccc3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 2/20 0.36
LMNA P02545 1/20 0.36
AHR P35869 3/20 0.33
P2RX4 Q99571 1/20 0.33
MAOB P27338 2/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31

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
SCHEMBL1453305 0.80 LPL (0.35) AHRLPLLIPG
SCHEMBL18538222 0.80 TSHR (0.35) TSHRCYP1A2AHRMAPK1
SCHEMBL15976050 0.77 ACHE (0.38) TSHRCYP2A6LMNAP2RX4MAOB
SCHEMBL43754 0.77 TSHR (0.38) TSHRCYP1A2LMNAP2RX4MAOB
SCHEMBL12062036 0.77 LPL (0.42) CYP1A2CYP2A6MAOBLPLLIPG
SCHEMBL13429479 0.77 AHR (0.40) CYP2A6AHRMAPK1MEN1KMT2A
SCHEMBL13855240 0.76 LPL (0.42) LPLLIPG
SCHEMBL13309430 0.76 MAPT (0.40) LPLLIPG
SCHEMBL13855245 0.76 ALDH1A1 (0.37) CYP1A2MEN1KMT2ALPLLIPG
SCHEMBL20312413 0.73 NOTUM (0.37) LMNAMAOBMAOAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
EP-1668014-B1 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO 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 (4 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B TSHR 625/4885CYP1A2 383/4885CYP2A6 885/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B TSHR 625/4885CYP1A2 383/4885CYP2A6 885/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B TSHR 625/4885CYP1A2 383/4885CYP2A6 885/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B TSHR 625/4885CYP1A2 383/4885CYP2A6 885/4885

“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.