SCHEMBL2404868

SCHEMBL2404868

Cc1ccc(-c2nccnc2C(=O)N(CCc2c[nH]c3c(F)cccc23)CC2CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.38
TACR2 P21452 2/20 0.36
SLC6A4 P31645 4/20 0.35
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
HTR1A P08908 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
PKM P14618 1/20 0.32
BCHE P06276 1/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL2407217 0.93 TACR2 (0.37) TACR2OXTRAVPR1ABCHECDK4
SCHEMBL2406776 0.89 HTR6 (0.43) TACR2OXTRAVPR1AHTR1ABCHE
SCHEMBL2410775 0.89 MPO (0.41) MPOTACR2SLC6A4GPR84HTR1A
SCHEMBL2403466 0.88 HTR2A (0.41) TACR2GPR84OXTRAVPR1ALPAR1
SCHEMBL1974495 0.87 HTR6 (0.41) TACR2SLC6A4OXTRAVPR1AHTR1A
SCHEMBL1967482 0.87 TACR2 (0.48) TACR2BCHECDK4CCND1
SCHEMBL2410555 0.85 MPO (0.38) MPOSLC6A4
SCHEMBL1971560 0.85 TACR2 (0.46) TACR2CDK4CCND1
SCHEMBL2403399 0.85 HTR1A (0.41) TACR2SLC6A4OXTRAVPR1AHTR1A
SCHEMBL2406957 0.85 HTR1A (0.43) MPOSLC6A4HTR1ABCHE

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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 MPO 3915/4885TACR2 90/4885SLC6A4 781/4885

“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.