SCHEMBL2960922

SCHEMBL2960922

Cn1cc(Br)c(-c2cccc(NC(=O)NCc3ccc(F)cc3)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 6/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 3/20 0.51
POLB P06746 2/20 0.51
MAOB P27338 1/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
CCR3 P51677 2/20 0.45
NAMPT P43490 1/20 0.44
MTOR P42345 1/20 0.44
PRMT3 O60678 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2950542 0.91 L3MBTL1 (0.63) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL2949934 0.88 NPC1 (0.60) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL7162963 0.87 L3MBTL1 (0.61) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7153301 0.87 HTR2A (0.54) L3MBTL1RAB9AALDH1A1NPC1NAMPT
SCHEMBL4859619 0.85 SMN1; SMN2 (0.56) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6490218 0.83 L3MBTL1 (0.54) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL2956954 0.82 L3MBTL1 (0.57) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL28750818 0.81 L3MBTL1 (0.56) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL2949815 0.81 L3MBTL1 (0.65) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6591221 0.80 SMN1; SMN2 (0.54) RAB9AALDH1A1SMN1; SMN2NPC1POLB

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
US-7754866-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS INC. 2009-03-19 US disclosed
US-7368539-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-06-02 US disclosed
US-6846919-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
CN-1411448-A Pyrazole derivatives which modulate human 5-serotonin receptors ARENA PHARM INC (US) 2003-04-16 CN disclosed
US-6541209-B1 Bioassay; identification of compounds as agonists; use in treatment of diseases and disorders that are related to 5-HT2A and or 5-HT2C serotonin receptors ARENA PHARMACEUTICALS, INC. 2003-04-01 US disclosed
US-6420541-B1 MEMBRANE PROTEIN FOR USE IN TREATING PSYCHOLOGICAL, NERVOUS SYSTEM, EATING AND SEXUAL DISORDERS ARENA PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 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-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885RAB9A 2212/4885ALDH1A1 3499/4885
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885RAB9A 2212/4885ALDH1A1 3499/4885

“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.