SCHEMBL6850897

SCHEMBL6850897

CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
MTOR P42345 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
AGTR2 P50052 1/20 0.36
TACR1 P25103 3/20 0.36
SCN9A Q15858 1/20 0.36
P2RX7 Q99572 1/20 0.36
LSS P48449 1/20 0.35

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
SCHEMBL6851053 0.86 POLB (0.46) SLC6A4KMT2AMEN1
SCHEMBL6853045 0.85 SCN9A (0.37) SLC6A2SLC6A4TACR1SCN9A
SCHEMBL6846933 0.81 S1PR1 (0.37) KMT2ATACR1
SCHEMBL6851354 0.81 SLC6A4 (0.41) SLC6A2SLC6A4
SCHEMBL6849717 0.79 P2RX7 (0.45) P2RX7
SCHEMBL6849689 0.78 HSD11B1 (0.42) SLC6A4KMT2AMEN1
SCHEMBL6851076 0.76 MAPK9 (0.36) SLC6A4KMT2AMEN1AGTR2
SCHEMBL6852889 0.75 NLN (0.43) SLC6A4
SCHEMBL6850920 0.74 NPC1 (0.41) KMT2AMEN1P2RX7
SCHEMBL3187304 0.73 HTR3A (0.38) SLC6A4KMT2A

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
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 CCR1 1208/4885SLC6A2 830/4885SLC6A4 841/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 CCR1 1208/4885SLC6A2 830/4885SLC6A4 841/4885

“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.