SCHEMBL5760413

SCHEMBL5760413

CNC(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
HTR2C P28335 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CCR5 P51681 1/20 0.54

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
SCHEMBL6008838 0.87 HTR2A (0.56) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5760363 0.83 HTR2A (0.61) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL10021777 0.80 HTR2A (0.58) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6008823 0.80 UTS2R (0.61) HTR2ACCR5
SCHEMBL6007500 0.79 HTR2A (0.55) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL10021778 0.79 KCNH2 (0.54) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL14318600 0.78 HTR2A (0.81) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6009365 0.78 HTR2A (0.46) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7310084 0.77 HTR2A (0.63) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL10722200 0.77 HTR2A (0.59) 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 7 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
US-20030105079-A1 Novel phenylalkyl diamine and amide analogs SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-06-05 US 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
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 58/4885KDM4E 2001/4885CYP1A2 1779/4885

“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.