SCHEMBL7198313

SCHEMBL7198313

O=C(O)CN1CCN(C2CCCCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.63
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
ALOX12 P18054 1/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM3 P20309 1/20 0.49
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL2539077 0.90 ITGB3 (0.52) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4041964 0.85 KDM4E (0.59) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL18789009 0.84 SIGMAR1 (0.48) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL11006978 0.83 SIGMAR1 (0.61) SIGMAR1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6623121 0.83 KDM4E (0.57) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3692903 0.83 SIGMAR1 (0.61) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7826195 0.83 KDM4E (0.57) SIGMAR1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27487445 0.83 KDM4E (0.57) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL5173732 0.82 KDM4E (0.56) SIGMAR1KDM4EALDH1A1MEN1KMT2A
Potassium Ion SCHEMBL6299871 0.81 SIGMAR1 (0.59) SIGMAR1KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596724-B2 Used in promoting weight loss and treating eating disorders BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
US-20020013323-A1 Oxadiazole and thiadiazole derivatives of dihydropyridine NPY antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-01-31 US disclosed
WO-1997007117-A1 2-ACYLAMINOPROPANAMINES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
WO-1996041633-A1 METHODS OF TREATING COLD AND ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1996-12-27 WO disclosed
WO-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 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 (1 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-20020013323-A1 Oxadiazole and thiadiazole derivatives of dihydropyridine NPY antagonists NPY1R, NPY2R, NPY5R SIGMAR1 72/4885KDM4E 1951/4885ALDH1A1 2608/4885

“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.