SCHEMBL4866923

SCHEMBL4866923

CCOc1cccc(C=C(C)N2CCN(c3ccc(Br)c(OC)c3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38
ALK Q9UM73 3/20 0.37
CCKAR P32238 3/20 0.37
ROCK2 O75116 1/20 0.37
SSTR5 P35346 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4870573 0.85 ALDH1A1 (0.44) NPC1MAPTGAAMAPK1ALDH1A1
SCHEMBL4865528 0.84 MEN1 (0.47) NPC1MAPTGAAALDH1A1LMNA
SCHEMBL4866408 0.84 ALDH1A1 (0.48) NPC1MAPTMAPK1ALDH1A1LMNA
SCHEMBL4871242 0.81 PTGS1 (0.42) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL4866921 0.79 L3MBTL1 (0.43) NPC1MAPTGAAMAPK1ALDH1A1
SCHEMBL4870542 0.77 LMNA (0.42) NPC1MAPTMAPK1ALDH1A1LMNA
SCHEMBL4866826 0.76 MAPT (0.42) NPC1MAPTGAAMAPK1ALDH1A1
SCHEMBL4873322 0.75 SMN1; SMN2 (0.43) NPC1MAPTMAPK1ALDH1A1LMNA
SCHEMBL4876301 0.75 KMT2A (0.47) NPC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL4866793 0.75 KMT2A (0.44) MAPTALDH1A1L3MBTL1ACHEALK

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 11 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
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

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 NPC1 1292/4885MAPT 2762/4885GAA 652/4885
US-20020052383-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 NPC1 1163/4885MAPT 2821/4885GAA 654/4885
US-20030191136-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 NPC1 1292/4885MAPT 2762/4885GAA 652/4885

“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.