SCHEMBL6711077

SCHEMBL6711077

O=C(O)N1CC=C(c2cccc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
ALOX15 P16050 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 4/20 0.44
PDK4 Q16654 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL6812374 0.84 MAPT (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1ALOX15
SCHEMBL6808255 0.82 HTR1D (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9324701 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL19284621 0.82 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6847847 0.81 PDK4 (0.69) PDK4HTR6
SCHEMBL16114190 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4006732 0.80 PDE10A (0.49) ALDH1A1KDM4ESMN1; SMN2ALOX15TSHR
SCHEMBL23064245 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL22324761 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28750123 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 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-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 1449/4885KDM4E 3750/4885SMN1; SMN2 332/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 2076/4885KDM4E 3434/4885SMN1; SMN2 615/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ALDH1A1 1792/4885KDM4E 1167/4885SMN1; SMN2 834/4885

“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.