SCHEMBL27211110

SCHEMBL27211110

CC(Br)C(=O)Nc1ccc(Oc2ccc(F)cc2CN(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 9/20 0.47
▸ SLC6A2 P23975 6/20 0.47
▸ SLC6A3 Q01959 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MET P08581 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ FFAR2 O15552 1/20 0.37

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
SCHEMBL24297725 0.85 MAPK14 (0.44) ALDH1A1RAB9AMETLMNAABL1
SCHEMBL29077942 0.85 MAPK14 (0.44) ALDH1A1RAB9AMETLMNAABL1
SCHEMBL27211275 0.83 ALDH1A1 (0.38) ALDH1A1RAB9ASMN1; SMN2METLMNA
SCHEMBL27211279 0.83 ALDH1A1 (0.38) ALDH1A1RAB9ASMN1; SMN2METLMNA
SCHEMBL24298066 0.80 FFAR2 (0.45) ALDH1A1RAB9ASMN1; SMN2LMNAABL1
SCHEMBL27211133 0.79 IDO1 (0.41) ALDH1A1RAB9ASMN1; SMN2METLMNA
SCHEMBL27211481 0.78 FFAR2 (0.39) ALDH1A1RAB9AMETLMNAFFAR2
SCHEMBL29564053 0.76 FFAR2 (0.47) ALDH1A1RAB9ALMNAFFAR2
SCHEMBL27210967 0.76 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2METLMNA
SCHEMBL29457094 0.76 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2A

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-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — 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 (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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 SLC6A4 4318/4885SLC6A2 2793/4885SLC6A3 3718/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 SLC6A4 4318/4885SLC6A2 2793/4885SLC6A3 3718/4885

“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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