SCHEMBL5577910

SCHEMBL5577910

O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN(C(=O)O)CC2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 1/20 0.53
MCHR1 Q99705 1/20 0.53
CACNA1G O43497 2/20 0.52
OPRM1 P35372 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
HTR1A P08908 1/20 0.49
MAPT P10636 1/20 0.49
DRD4 P21917 1/20 0.48
CCR3 P51677 1/20 0.48
POLB P06746 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
Butane SCHEMBL7089633 0.89 DRD4 (0.46) MCHR2MCHR1CACNA1GOPRM1SMN1; SMN2
SCHEMBL7089635 0.87 DRD4 (0.46) MCHR2MCHR1CACNA1GSMN1; SMN2LMNA
SCHEMBL6807533 0.86 MAPK14 (0.53) MCHR2MCHR1CACNA1GSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5578415 0.86 ACHE (0.57) MCHR2MCHR1CACNA1GOPRM1SMN1; SMN2
SCHEMBL1980829 0.82 HDAC6 (0.53) SMN1; SMN2MAPTHDAC6
Hydrochloric Acid SCHEMBL7087753 0.81 MAPK14 (0.49) MCHR2MCHR1CACNA1GSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5578392 0.81 ACHE (0.60) MCHR2MCHR1CACNA1GSMN1; SMN2LMNA
SCHEMBL27014528 0.80 CCR3 (0.70) MCHR2MCHR1CACNA1GSMN1; SMN2LMNA
SCHEMBL9386113 0.78 ALDH1A1 (0.69) MCHR2MCHR1SMN1; SMN2HTR1AMAPT
SCHEMBL6802605 0.78 DRD4 (0.56) MCHR1CACNA1GSMN1; SMN2HTR1AMAPT

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-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP 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-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR MCHR2 54/4885MCHR1 38/4885CACNA1G 1568/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR MCHR2 54/4885MCHR1 38/4885CACNA1G 1568/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA MCHR2 348/4885MCHR1 581/4885CACNA1G 1003/4885

“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.