SCHEMBL27186523

SCHEMBL27186523

Cc1ccnc(-c2cc(F)ccc2C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ CCR8 P51685 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HCRTR1 O43613 2/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ TDO2 P48775 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ TGFBR1 P36897 3/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM1A O60341 3/20 0.36
▸ SYK P43405 1/20 0.36

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
SCHEMBL27900606 0.78 METAP1 (0.49) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL20102298 0.76 KDM4E (0.44) ALDH1A1KDM4ECYP2A6IDO1TDO2
SCHEMBL27900620 0.76 HCRTR1 (0.56) CCR1CCR5CCR8HCRTR1HCRTR2
SCHEMBL503953 0.76 CCR1 (0.55) CCR1CCR5CCR8ALDH1A1HCRTR1
SCHEMBL29766750 0.76 CCR1 (0.55) CCR1CCR5CCR8ALDH1A1HCRTR1
SCHEMBL16910413 0.76 CCR1 (0.55) CCR1CCR5CCR8ALDH1A1HCRTR1
SCHEMBL18181691 0.74 KDM4E (0.44) ALDH1A1LMNAKDM4EIDO1TDO2
SCHEMBL14840551 0.74 MAPK9 (0.42) ALDH1A1IDO1TDO2
SCHEMBL27900600 0.73 HCRTR1 (0.58) CCR1CCR5CCR8HCRTR1HCRTR2
SCHEMBL14125000 0.73 CCR1 (0.74) CCR1CCR5CCR8HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 — — 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-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR CCR1 894/4885CCR5 749/4885CCR8 1668/4885

“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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