SCHEMBL3695233

SCHEMBL3695233

NC(=O)CCCc1c[nH]c2ccc(F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 16/20 1.00
SLC6A4 P31645 6/20 1.00
NOTUM Q6P988 2/20 0.67
HTR2A P28223 1/20 0.64
TRPM8 Q7Z2W7 1/20 0.64
HTR1A P08908 1/20 0.62
KMT2A Q03164 1/20 0.62
TSHR P16473 1/20 0.61
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60

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
SCHEMBL2410329 0.96 MPO (1.00) MPOSLC6A4NOTUMHTR2ATRPM8
SCHEMBL5203631 0.89 MPO (0.80) MPOSLC6A4NOTUMHTR2ATRPM8
SCHEMBL28682971 0.89 MPO (0.80) MPOSLC6A4NOTUMHTR2AHTR1A
SCHEMBL5792523 0.87 MPO (0.78) MPOSLC6A4NOTUMTSHRMTNR1A
SCHEMBL5344966 0.84 MPO (0.80) MPOSLC6A4NOTUMHTR2ATRPM8
SCHEMBL5792142 0.84 MPO (0.73) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL2177075 0.84 TSHR (0.75) MPOSLC6A4NOTUMHTR2ATRPM8
SCHEMBL5338627 0.83 MPO (0.78) MPOSLC6A4NOTUMHTR2ATRPM8
SCHEMBL28673230 0.83 MPO (0.71) MPOSLC6A4NOTUMHTR2AHTR1A
SCHEMBL28680989 0.83 MPO (0.71) MPOSLC6A4HTR2AHTR1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4592401-A2 CHEMICAL COMPOSITIONS AND METHODS OF USING THE SAME Bruker Spatial Biology, Inc. (US) 2025-07-30 EP disclosed
EP-4214331-B1 CHEMICAL COMPOSITIONS AND METHODS OF USING THE SAME BRUKER SPATIAL BIOLOGY INC (US) 2025-06-18 EP disclosed
CN-117120629-A Chemical compositions and methods of use thereof 纳米线科技公司 2023-11-24 CN disclosed
US-20230366012-A1 CHEMICAL COMPOSITIONS AND METHODS OF USING THE SAME BRUKER SPATIAL BIOLOGY, INC. 2023-11-16 US disclosed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN disclosed
US-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 US disclosed
EP-0745584-B1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-01-05 EP disclosed
US-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 US disclosed
EP-0745584-A1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 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 (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-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS MPO, SERPINB1, MAOA MPO 1/4885SLC6A4 460/4885NOTUM 386/4885

“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.