SCHEMBL7471957

SCHEMBL7471957

NCCCN1CCN(C2CCCCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.51
TMEM97 Q5BJF2 1/20 0.51
ABCB1 P08183 1/20 0.48

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
SCHEMBL3979601 0.98 SIGMAR1 (0.49) SIGMAR1TMEM97ABCB1
SCHEMBL7513389 0.90 KEAP1 (0.48) SIGMAR1TMEM97
SCHEMBL17219705 0.88 ALOX15 (0.54) SIGMAR1TMEM97ABCB1
SCHEMBL6656817 0.88 SIGMAR1 (0.57) SIGMAR1TMEM97ABCB1
SCHEMBL6659238 0.88 SIGMAR1 (0.61) SIGMAR1TMEM97ABCB1
SCHEMBL1306239 0.86 ALOX15 (0.56) SIGMAR1TMEM97ABCB1
SCHEMBL6660619 0.86 SIGMAR1 (0.56) SIGMAR1TMEM97ABCB1
SCHEMBL5841337 0.85 SIGMAR1 (0.49) SIGMAR1TMEM97
SCHEMBL7595350 0.85 HRH3 (0.50)
SCHEMBL6658589 0.83 SIGMAR1 (0.51) SIGMAR1TMEM97ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540338-B2 Substituted cinnamic acid amides for treating pain NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20150322024-A1 Cinnamic Acid Amide Derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2940003-A1 CINNAMIC ACID AMIDE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2015-11-04 EP disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
US-6444675-B2 PROMOTING WEIGHT LOSS AND TREATING EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-09-03 US disclosed
EP-1202738-A4 DIHYDROPYRAZINE DERIVATIVES AS NPY ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2002-08-14 EP disclosed
US-6432960-B2 ANOREXOGENIC AGENTS TO PROMOTE WEIGHT LOSS AND TREAT EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-08-13 US disclosed
EP-1202738-A1 DIHYDROPYRAZINE DERIVATIVES AS NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-08 EP disclosed
US-20010049370-A1 4-Alkyl and 4-cycloalkyl derivatives of dihydropyridine NPY antagonists SIT SING-YUEN (US) 2001-12-06 US disclosed
US-20010047002-A1 Squarate derivatives of dihydropyridine NPY antagonists SIT SING-YUEN (US) 2001-11-29 US disclosed
WO-2001085098-A2 SQUARATE DERIVATIVES OF DIHYDROPYRIDINE NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed
WO-2001085690-A1 4-ALKYL AND 4-CYCLOALKYL DERIVATIVES OF DIHYDROPYRIDINE NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed
US-6177429-B1 SELECTIVE NEUROPEPTIDE Y (NPY) RECEPTOR ANTAGONISTS FOR PROMOTING WEIGHT LOSS AND TREATMENT OF EATING DISORDERS; ANOREXIGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY 2001-01-23 US disclosed
WO-2000078319-A1 DIHYDROPYRAZINE DERIVATIVES AS NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-28 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-20150322024-A1 Cinnamic Acid Amide Derivative OPRL1, TRPV1, TRPA1 SIGMAR1 262/4885TMEM97 1570/4885ABCB1 2758/4885
US-20010047002-A1 Squarate derivatives of dihydropyridine NPY antagonists NPY1R, NPY2R, SUCNR1 SIGMAR1 1269/4885TMEM97 3423/4885ABCB1 4784/4885
US-20010049370-A1 4-Alkyl and 4-cycloalkyl derivatives of dihydropyridine NPY antagonists NPY4R, NPY1R, NPY5R SIGMAR1 489/4885TMEM97 2664/4885ABCB1 4671/4885

“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.