SCHEMBL5871535

SCHEMBL5871535

Cc1cc2ccc(C(=O)NCCO)cc2n1C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 12/20 0.50
PLD1 Q13393 11/20 0.50
HTR2A P28223 3/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46
DRD2 P14416 1/20 0.46
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
MCHR1 Q99705 1/20 0.45
DRD4 P21917 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL5872222 0.93 PLD2 (0.50) PLD2PLD1HTR2AHTR2CHTR7
SCHEMBL5871928 0.92 PLD2 (0.53) PLD2PLD1HTR2AHTR2CHTR7
SCHEMBL5871154 0.91 PLD2 (0.49) PLD2PLD1HTR2AHTR2CHTR7
SCHEMBL5202479 0.91 HTR2A (0.47) PLD2PLD1HTR2AHTR2CHTR7
SCHEMBL5871452 0.91 PLD2 (0.48) PLD2PLD1HTR2AHTR2CHTR7
Oxalic Acid SCHEMBL5871790 0.90 PLD2 (0.51) PLD2PLD1DRD2MCHR1
SCHEMBL5204133 0.89 HTR2A (0.49) PLD2PLD1HTR2AHTR2CHTR7
SCHEMBL6620022 0.89 PLD2 (0.46) PLD2PLD1HTR2AHTR2CHTR7
SCHEMBL5871659 0.88 PLD2 (0.44) PLD2PLD1HTR2AHTR2CHTR7
SCHEMBL6621516 0.87 PLD2 (0.44) PLD2PLD1HTR2AHTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB PLD2 1692/4885PLD1 1271/4885HTR2A 209/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 PLD2 1674/4885PLD1 1415/4885HTR2A 143/4885

“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.