SCHEMBL5758023

SCHEMBL5758023

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.61
KCNH2 Q12809 2/20 0.57
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
KCNA3 P22001 1/20 0.49
CCR3 P51677 1/20 0.48
CCR5 P51681 1/20 0.48

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
Hydrochloric Acid SCHEMBL6008822 0.99 HTR2A (0.60) HTR2AKCNH2HRH2HRH1KDM4E
SCHEMBL5760363 0.92 HTR2A (0.61) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11758953 0.83 KCNH2 (0.66) HTR2AKCNH2KDM4ECYP1A2CYP3A4
SCHEMBL6007331 0.82 CCR5 (0.52) HTR2AKCNA3CCR5
SCHEMBL6008823 0.80 UTS2R (0.61) HTR2AKCNH2CCR5
SCHEMBL5634565 0.79 EGFR (0.48) KDM4EKCNA3CCR5
SCHEMBL14514117 0.79 EGFR (0.48) KDM4EKCNA3CCR5
SCHEMBL6007500 0.79 HTR2A (0.55) HTR2AKCNH2KDM4ECYP1A2CYP3A4
SCHEMBL14514069 0.79 KCNA3 (0.44) HRH2HRH1KDM4ECYP1A2CYP3A4
SCHEMBL7230868 0.79 SLC18A3 (0.55) HTR2AKDM4ECYP1A2CYP3A4CYP2D6

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 5 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 disclosed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP 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 58/4885KCNH2 1161/4885HRH2 287/4885

“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.