SCHEMBL9699059

SCHEMBL9699059

CNC1CCN(C2CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 7/20 0.37
HRH4 Q9H3N8 3/20 0.36
SLC6A5 Q9Y345 1/20 0.36
SLC18A3 Q16572 1/20 0.35

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
SCHEMBL13874789 1.00 DPP4 (0.40) DPP4POLBHSD17B10MEN1KMT2A
SCHEMBL12568620 1.00 DPP4 (0.40) DPP4POLBHSD17B10MEN1KMT2A
SCHEMBL724375 0.98 DPP4 (0.38) DPP4SIGMAR1HRH4
SCHEMBL1999934 0.98 DPP4 (0.38) DPP4SIGMAR1HRH4
SCHEMBL725303 0.98 DPP4 (0.38) DPP4SIGMAR1HRH4
SCHEMBL3637362 0.94 HRH3 (0.36) DPP4SIGMAR1HRH4
SCHEMBL12568614 0.90 SIGMAR1 (0.40) DPP4POLBHSD17B10MEN1KMT2A
SCHEMBL9927934 0.90 SIGMAR1 (0.40) DPP4POLBHSD17B10MEN1KMT2A
SCHEMBL21386066 0.89 HRH4 (0.34) HRH4
SCHEMBL9927923 0.88 SIGMAR1 (0.37) POLBHSD17B10MEN1KMT2ASIGMAR1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3680237-A1 PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS Arrien Pharmaceuticals LLC (US) 2020-07-15 EP disclosed
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2020-06-16 US disclosed
EP-3044223-B1 2,3-DIHYDRO-1H-INDEN-1-ONE DERIVATIVES AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA) ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2020-04-01 EP disclosed
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2019-07-11 US disclosed
US-9669028-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-06-06 US disclosed
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 US disclosed
US-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 US disclosed
US-9359315-B2 Substituted 2,3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2016-06-07 US disclosed
US-20160060261-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC 2016-03-03 US disclosed
US-9187473-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2015-11-17 US disclosed
US-4282244-A ANTIEMETICS A. H. ROBINS COMPANY, INC. (US) 1981-08-04 US disclosed
US-4282243-A ANTICATALEPTIC AGENTS A. H. ROBINS COMPANY, INC. (US) 1981-08-04 US disclosed
US-4279822-A ANTIEMETICS A. H. ROBINS COMPANY, INC. (US) 1981-07-21 US disclosed
US-4087428-A ANTIEMETICS A. H. ROBINS COMPANY, INC. (US) 1978-05-02 US disclosed
US-4073796-A ANTIEMETIC A. H. ROBINS COMPANY, INC. (US) 1978-02-14 US disclosed
US-4039678-A N-(SUBSTITUTED-3-PYRROLIDINYL)-1-NAPHTHALENE CARBOXAMIDES A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-02 US disclosed
US-4002757-A ANTIEMETIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-01-11 US disclosed
US-3966957-A Method for controlling emesis with N-(1-substituted-3-pyrrolidinyl)benzamides and thiobenzamides A. H. ROBINS COMPANY, INCORPORATED (US) 1976-06-29 US disclosed
US-3963745-A Method for controlling emesis with N-(1-substituted-3-pyrrolidinyl)benzamides and thiobenzamides A. H. ROBINS COMPANY, INCORPORATED (US) 1976-06-15 US disclosed
US-3954729-A FROM A SECONDARY AMINE, CARBONYL SULFIDE, AND AN ALKYL HALIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JA) 1976-05-04 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 (5 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-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis RORA, RORB, RORC DPP4 961/4885POLB 2962/4885HSD17B10 439/4885
US-20160060261-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 DPP4 2523/4885POLB 885/4885HSD17B10 3723/4885
US-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC DPP4 961/4885POLB 2962/4885HSD17B10 439/4885
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS RORA, RORB, RORC DPP4 961/4885POLB 2962/4885HSD17B10 439/4885
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC DPP4 961/4885POLB 2962/4885HSD17B10 439/4885

“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.