SCHEMBL4873316

SCHEMBL4873316

C=C(Cc1ccccc1C)N1CCN(c2ccc(Br)c(OC)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTR7 P34969 2/20 0.43
LMNA P02545 8/20 0.43
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.39
CCR1 P32246 1/20 0.39
ALOX15 P16050 1/20 0.39
ALK Q9UM73 1/20 0.39
POLB P06746 1/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL4870535 0.91 KMT2A (0.54) MEN1KMT2AHTR7LMNAHTT
SCHEMBL4866824 0.86 MEN1 (0.46) MEN1KMT2AHTR7LMNAHTT
SCHEMBL4865513 0.85 LMNA (0.45) MEN1KMT2AHTR7LMNAHTT
SCHEMBL4866790 0.83 KMT2A (0.44) MEN1KMT2AHTR7LMNAHTT
SCHEMBL4876296 0.82 GFER (0.46) MEN1KMT2AHTR7MAPTALDH1A1
SCHEMBL4866789 0.82 GFER (0.43) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4870570 0.81 ALDH1A1 (0.44) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL4871230 0.80 GFER (0.56) MEN1KMT2AHTR7LMNAHTT
SCHEMBL4866401 0.78 KMT2A (0.50) MEN1KMT2ALMNAHTTNPSR1
SCHEMBL4866921 0.76 L3MBTL1 (0.43) MEN1KMT2ALMNAHTTSMN1; SMN2

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 MEN1 705/4885KMT2A 1995/4885HTR7 112/4885
US-20020052383-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 MEN1 805/4885KMT2A 2135/4885HTR7 119/4885
US-20030191136-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 MEN1 705/4885KMT2A 1995/4885HTR7 112/4885

“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.