SCHEMBL4870535

SCHEMBL4870535

C=C(Cc1ccccc1OC)N1CCN(c2ccc(Br)c(OC)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 3/20 0.50
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.49
HTR7 P34969 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
ALOX15 P16050 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TYR P14679 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR3 P51677 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL4873316 0.91 MEN1 (0.44) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4866824 0.90 MEN1 (0.46) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4866790 0.87 KMT2A (0.44) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4865513 0.87 LMNA (0.45) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4876296 0.86 GFER (0.46) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL4866789 0.86 GFER (0.43) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL4871230 0.81 GFER (0.56) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4870570 0.81 ALDH1A1 (0.44) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4866401 0.80 KMT2A (0.50) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4866921 0.78 L3MBTL1 (0.43) KMT2AMEN1LMNAMAPTHTT

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 KMT2A 1995/4885MEN1 705/4885LMNA 4459/4885
US-20020052383-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 KMT2A 2135/4885MEN1 805/4885LMNA 4499/4885
US-20030191136-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 KMT2A 1995/4885MEN1 705/4885LMNA 4459/4885

“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.