SCHEMBL2054494

SCHEMBL2054494

CCCCCc1ccc(CCCCN)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.79
MAOA P21397 1/20 0.60
ESR1 P03372 2/20 0.59
ADRA2A P08913 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
TACR2 P21452 2/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
SLC6A3 Q01959 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
SHBG P04278 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
HSPD1 P10809 1/20 0.59
ADRB3 P13945 1/20 0.59
HTR2C P28335 1/20 0.59
HSPE1 P61604 1/20 0.59
HIF1A Q16665 1/20 0.59

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
SCHEMBL8971649 0.95 HTR2A (0.72) HTR2AMAOAESR1ADRA2AADORA3
SCHEMBL6282191 0.95 HTR2A (0.79) HTR2AMAOAESR1ADRA2AADORA3
SCHEMBL6285706 0.93 HTR2A (0.83) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL6287873 0.93 HTR2A (0.83) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL15960549 0.93 HTR2A (0.83) HTR2AESR1ADRA2AADORA3TACR2
4-Phenyl-Butylamine SCHEMBL8343768 0.89 MAOA (0.79) HTR2AMAOA
4-Phenyl-Butylamine SCHEMBL9373863 0.89 MAOA (0.79) HTR2AMAOA
Hydrochloric Acid SCHEMBL7994125 0.88 HTR2A (0.91) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1050126 0.88 HTR2A (1.00) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1311559 0.88 HTR2A (1.00) HTR2AESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G HTR2A 288/4885MAOA 730/4885ESR1 4669/4885

“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.