SCHEMBL5756775

SCHEMBL5756775

NC(CCN1CCC(C(O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.66
HTR2C P28335 3/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
CARM1 Q86X55 1/20 0.63
PRMT6 Q96LA8 1/20 0.63
HRH1 P35367 1/20 0.55
KCNA3 P22001 1/20 0.52
HTR7 P34969 2/20 0.49
HTR6 P50406 1/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46

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
SCHEMBL5760637 0.92 HTR2A (0.64) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL24076360 0.84 HTR2A (0.71) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL16786485 0.81 HTR2A (0.71) HTR2AHTR2CKDM4ECYP1A2CYP3A4
Glemanserin SCHEMBL120012 0.79 HTR2A (1.00) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL31207846 0.79 CARM1 (0.68) HTR2AHTR2CKDM4ECYP1A2CYP3A4
Glemanserin SCHEMBL7838106 0.78 HTR2A (0.97) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL9796769 0.78 ALDH1A1 (0.54) KCNA3
SCHEMBL28316666 0.78 ALDH1A1 (0.54) KCNA3
SCHEMBL9499660 0.77 MEN1 (0.66) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL5756545 0.77 CARM1 (0.64) CARM1PRMT6GRIN2DGRIN3BADRA1D

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-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US claimed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP claimed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP claimed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO claimed
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US disclosed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
CN-1547575-A Novel phenylalkyldiamine and amide analogs SK��ʽ���� 2004-11-17 CN disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
US-20030105079-A1 Novel phenylalkyl diamine and amide analogs SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-06-05 US disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 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 (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-20030105079-A1 Novel phenylalkyl diamine and amide analogs SIGMAR1, TAAR1, OPRL1 HTR2A 58/4885HTR2C 94/4885KDM4E 2001/4885

“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.