SCHEMBL27094823

SCHEMBL27094823

O=C(O)NCC1CCc2c(O)ccnc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.40
▸ MTNR1A P48039 13/20 0.36
▸ MTNR1B P49286 12/20 0.36
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL30030516 0.81 ACACB (0.44) MTNR1AMTNR1B
SCHEMBL29142419 0.81 ACACB (0.44) MTNR1AMTNR1B
SCHEMBL10841119 0.69 KDM4C (0.36) —
SCHEMBL30031339 0.68 ACACB (0.43) —
SCHEMBL29142430 0.68 ACACB (0.43) —
SCHEMBL30031586 0.66 ACACB (0.44) MTNR1AMTNR1B
SCHEMBL29142417 0.66 ACACB (0.44) MTNR1AMTNR1B
SCHEMBL12970659 0.62 GRIN2B (0.40) MTNR1AMTNR1B
SCHEMBL20509893 0.60 HTR2A (0.34) HTR2C
SCHEMBL17222061 0.60 HTR2A (0.36) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228505-A1 BICYCLIC PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-07-11 — — US disclosed
US-20240150370-A1 BICYCLIC PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-05-09 — — US disclosed
EP-4324834-A1 BICYCLIC PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-02-21 — — 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-20240228505-A1 BICYCLIC PYRIDINE DERIVATIVE CBR1, CBR3, CYB5R3 CYP19A1 877/4885MTNR1A 320/4885MTNR1B 206/4885
US-20240150370-A1 BICYCLIC PYRIDINE DERIVATIVE CBR1, CBR3, CYB5R3 CYP19A1 877/4885MTNR1A 320/4885MTNR1B 206/4885

“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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