SCHEMBL4873322

SCHEMBL4873322

COc1cc(N2CCN(C(C)=Cc3ccccc3C)CC2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALK Q9UM73 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.37
RECQL P46063 1/20 0.37
CCR1 P32246 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.37
TYR P14679 1/20 0.37
HTR7 P34969 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
SCHEMBL4870542 0.91 LMNA (0.42) SMN1; SMN2LMNAHTTALKALDH1A1
SCHEMBL4866826 0.86 MAPT (0.42) SMN1; SMN2LMNAHTTALKALDH1A1
SCHEMBL4865528 0.85 MEN1 (0.47) SMN1; SMN2LMNAHTTALKALDH1A1
SCHEMBL4876301 0.82 KMT2A (0.47) ALKALDH1A1MAPTL3MBTL1NPC1
SCHEMBL4866793 0.82 KMT2A (0.44) ALKALDH1A1MAPTL3MBTL1MEN1
SCHEMBL4870573 0.81 ALDH1A1 (0.44) SMN1; SMN2LMNAHTTALKALDH1A1
SCHEMBL4871242 0.80 PTGS1 (0.42) SMN1; SMN2LMNAHTTALKALDH1A1
SCHEMBL4866408 0.78 ALDH1A1 (0.48) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL14279083 0.77 KDM4E (0.60) SMN1; SMN2LMNANPSR1ALDH1A1MAPT
SCHEMBL4873316 0.76 MEN1 (0.44) SMN1; SMN2LMNAHTTNPSR1ALK

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 SMN1; SMN2 1356/4885LMNA 4459/4885HTT 623/4885
US-20020052383-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 SMN1; SMN2 1511/4885LMNA 4499/4885HTT 643/4885
US-20030191136-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 SMN1; SMN2 1356/4885LMNA 4459/4885HTT 623/4885

“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.