SCHEMBL2958818

SCHEMBL2958818

COc1ccc(CCN(C=O)Nc2cccc(-c3nn(C)cc3Br)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKR1C3 P42330 5/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
TP53 P04637 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL2950487 0.91 L3MBTL1 (0.46) L3MBTL1ALDH1A1HTR2ASMN1; SMN2KMT2A
SCHEMBL2953460 0.82 L3MBTL1 (0.46) L3MBTL1ALDH1A1HTR2ASMN1; SMN2KMT2A
SCHEMBL6199782 0.82 HTR2A (0.46) L3MBTL1ALDH1A1HTR2ACYP1A2CYP2D6
SCHEMBL2961042 0.82 L3MBTL1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6586575 0.82 MAPT (0.35) L3MBTL1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL6479318 0.81 L3MBTL1 (0.48) L3MBTL1ALDH1A1HTR2ASMN1; SMN2CYP1A2
SCHEMBL2958211 0.80 L3MBTL1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2959801 0.80 L3MBTL1 (0.52) L3MBTL1ALDH1A1HTR2ASMN1; SMN2KMT2A
SCHEMBL2958214 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1HTR2ASMN1; SMN2KMT2A
SCHEMBL2959062 0.77 L3MBTL1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2KMT2AMEN1

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 12 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
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof BEHAN DOMINIC P (US) 2003-12-04 US disclosed
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. 2003-08-14 US 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-6150393-A N-(3-(4-BROMO-1-METHYLPYRAZOL-3-YL)PHENYL)(PHENYLMETHYLAMINO) -CARBOXAMIDE MODIFIER OF ACTIVITY OF THE SEROTONIN 5-HT 2A; CNS, GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ARENA PHARMACEUTICALS, INC. (US) 2000-11-21 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
US-6107324-A CONTROLLING SEROTONIN ARENA PHARMACEUTICALS INC. (US) 2000-08-22 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 (4 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 4160/4885ALDH1A1 3499/4885HTR2A 1/4885
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR6 L3MBTL1 4246/4885ALDH1A1 3459/4885HTR2A 1/4885
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof HTR2A, HTR5A, HTR1A L3MBTL1 2801/4885ALDH1A1 3419/4885HTR2A 1/4885
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885HTR2A 1/4885

“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.