SCHEMBL1968351

SCHEMBL1968351

c1ccc2c(CCNCC3CC3)c[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.67
MC5R P33032 2/20 0.66
MC3R P41968 2/20 0.66
MC1R Q01726 2/20 0.66
HTR2A P28223 2/20 0.64
G6PD P11413 1/20 0.61
HTR1A P08908 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HTT P42858 1/20 0.59
MTNR1A P48039 2/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 1/20 0.59
AANAT Q16613 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL20689740 0.94 BCHE (0.64) BCHEMC5RMC3RMC1RHTR2A
SCHEMBL22222026 0.94 BCHE (0.72) BCHEMC5RMC3RMC1RHTR2A
SCHEMBL22221910 0.94 BCHE (0.76) BCHEMC5RMC3RMC1RHTR2A
SCHEMBL11934860 0.93 BCHE (0.60) BCHEMC5RMC3RMC1RHTR2A
SCHEMBL13438730 0.93 BCHE (0.60) BCHEMC5RMC3RMC1RHTR2A
Hydrochloric Acid SCHEMBL23722025 0.93 BCHE (0.74) BCHEMC5RMC3RMC1RHTR2A
SCHEMBL11471892 0.93 BCHE (0.79) BCHEMC5RMC3RMC1RHTR2A
SCHEMBL8240955 0.92 SLC6A4 (0.69) BCHEMC5RMC3RMC1RHTR2A
SCHEMBL20689744 0.91 MC5R (0.66) BCHEMC5RMC3RMC1RHTR2A
SCHEMBL17232881 0.84 MC5R (0.83) BCHEMC5RMC3RMC1RHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
US-4228168-A ANTI-ANOXIC ACTIVITY TANABE SEIYAKU CO., LTD. (JP) 1980-10-14 US 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 BCHE 867/4885MC5R 116/4885MC3R 34/4885

“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.