SCHEMBL6846954

SCHEMBL6846954

O=C(NCC1CCCc2[nH]cnc21)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAOB P27338 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
SCHEMBL6847114 0.89 L3MBTL1 (0.42) LMNATRPV1L3MBTL1DHODHNPC1
SCHEMBL6849634 0.84 POLB (0.43) SMN1; SMN2LMNAPOLBNPC1RAB9A
SCHEMBL6851398 0.83 KMT2A (0.40) LMNAL3MBTL1ALDH1A1
SCHEMBL6849675 0.81 ALDH1A1 (0.41) LMNAPOLBL3MBTL1ALDH1A1
SCHEMBL6850903 0.76 NPC1 (0.41) TRPV1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6852996 0.75 KMT2A (0.43) LMNAL3MBTL1NPC1RAB9ATSHR
SCHEMBL6957290 0.74 LMNA (0.47) LMNAPOLBRAB9AALDH1A1
SCHEMBL6966902 0.68 PTGDR2 (0.39) SMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL7006799 0.67 AOC3 (0.37) LMNAPOLBRAB9AALDH1A1
SCHEMBL7654772 0.67 ALDH1A1 (0.38) SMN1; SMN2LMNANPC1RAB9ATSHR

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 SMN1; SMN2 3954/4885OPRM1 130/4885OPRD1 339/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 SMN1; SMN2 3954/4885OPRM1 130/4885OPRD1 339/4885

“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.