SCHEMBL19894028

SCHEMBL19894028

Cc1cc(N2CCN(C(=O)c3cc(Cl)ccc3Br)[C@H](C)CO2)nc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 9/20 0.34
▸ HCRTR2 O43614 9/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ P2RX7 Q99572 6/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCKBR P32239 2/20 0.33
▸ MGLL Q99685 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
SCHEMBL19893971 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL19894085 0.85 HCRTR2 (0.50) HCRTR1HCRTR2NR1I2ADRA2BKCNH2
SCHEMBL19894072 0.83 HCRTR1 (0.37) HCRTR1HCRTR2P2RX7
SCHEMBL22383467 0.81 CCKBR (0.32) HCRTR1HCRTR2NR1I2ADRA2BKCNH2
SCHEMBL19893927 0.79 HCRTR1 (0.40) HCRTR1HCRTR2MGLL
SCHEMBL19894143 0.79 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL19893988 0.78 SORD (0.33) HCRTR1HCRTR2KMT2A
SCHEMBL19894084 0.77 HCRTR2 (0.57) HCRTR1HCRTR2
SCHEMBL19893987 0.77 HCRTR2 (0.57) HCRTR1HCRTR2
SCHEMBL20212706 0.76 HCRTR2 (0.51) HCRTR1HCRTR2NR1I2ADRA2BKCNH2

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
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
US-10131653-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-20 — — US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — US disclosed
EP-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 — — EP 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 (2 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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 2/4885NR1I2 199/4885
US-10131653-B2 Heterocyclic compound HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 2/4885NR1I2 199/4885

“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.

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