SCHEMBL4871242

SCHEMBL4871242

COc1cc(N2CCN(C(C)=Cc3ccc(OC)c(OC)c3)CC2)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NQO2 P16083 1/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GFER P55789 1/20 0.40
HTR7 P34969 1/20 0.40
ACHE P22303 4/20 0.40
ALK Q9UM73 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL4865528 0.87 MEN1 (0.47) GAATDP1LMNAHTTSMN1; SMN2
SCHEMBL4870573 0.85 ALDH1A1 (0.44) GAATDP1L3MBTL1LMNAHTT
SCHEMBL4866408 0.84 ALDH1A1 (0.48) TDP1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL4876301 0.82 KMT2A (0.47) L3MBTL1GFERACHEALKKDM4E
SCHEMBL4870542 0.81 LMNA (0.42) LMNAHTTSMN1; SMN2ALKCASP3
SCHEMBL4866923 0.81 NPC1 (0.42) GAATDP1L3MBTL1LMNAHTT
SCHEMBL4873322 0.80 SMN1; SMN2 (0.43) L3MBTL1LMNAHTTSMN1; SMN2HTR7
SCHEMBL4866793 0.80 KMT2A (0.44) L3MBTL1GFERACHEALKALDH1A1
SCHEMBL4866826 0.79 MAPT (0.42) GAATDP1LMNAHTTSMN1; SMN2
SCHEMBL5528296 0.78 MAPK1 (0.49) LMNAHTTSMN1; SMN2HTR7ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323478-B2 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION (US) 2008-01-29 US claimed
US-20040229883-A1 Melanin concentrating hormone receptor ligands BAKTHAVATCHALAM RAJAGOPAL (US) 2004-11-18 US claimed
US-20030191136-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2003-10-09 US claimed
US-6569861-B2 Phenylcycloalkylmethylamino and phenylalkenylamino derivatives, including 1-phenyl-2-aminomethylcyclopropanes; treatment of a variety of metabolic, feeding, and sexual disorders including obesity. NEUROGEN CORPORATION 2003-05-27 US claimed
US-20020052383-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2002-05-02 US claimed
US-7323478-B2 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION (US) 2008-01-29 US disclosed
US-20040229883-A1 Melanin concentrating hormone receptor ligands BAKTHAVATCHALAM RAJAGOPAL (US) 2004-11-18 US disclosed
US-6753336-B2 EATING DISORDERS; SEXUAL DISORDERS NEUROGEN CORPORATION 2004-06-22 US disclosed
EP-1366030-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS Neurogen Corporation (US) 2003-12-03 EP disclosed
US-20030191136-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2003-10-09 US disclosed
US-6569861-B2 Phenylcycloalkylmethylamino and phenylalkenylamino derivatives, including 1-phenyl-2-aminomethylcyclopropanes; treatment of a variety of metabolic, feeding, and sexual disorders including obesity. NEUROGEN CORPORATION 2003-05-27 US disclosed
US-20020052383-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2002-05-02 US disclosed
WO-2002004433-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-17 WO 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 (3 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-20040229883-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 PTGS1 3975/4885PTGS2 4640/4885NQO2 1272/4885
US-20020052383-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 PTGS1 3655/4885PTGS2 4552/4885NQO2 1482/4885
US-20030191136-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 PTGS1 3975/4885PTGS2 4640/4885NQO2 1272/4885

“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.