SCHEMBL42221

SCHEMBL42221

C1CCC(N2CC[N]CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
HTR6 P50406 1/20 0.38
SLC18A3 Q16572 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
ABCB1 P08183 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL41910 0.97 PHGDH (0.42) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL7503884 0.97 PHGDH (0.42) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL42786 0.97 PHGDH (0.42) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL193442 0.94 PHGDH (0.34) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL9432067 0.91 PHGDH (0.38) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL188355 0.88
SCHEMBL1447602 0.87 L3MBTL1 (0.34) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL337764 0.87 L3MBTL1 (0.34) PHGDHMGLLHTR6SLC18A3
SCHEMBL597739 0.84 L3MBTL1 (0.35) HTR6MEN1KMT2AHRH3OPRL1
SCHEMBL174054 0.80 HTR6 (0.42) PHGDHMGLLHTR6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150339-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2024-05-09 US claimed
EP-3704102-B1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS US HEALTH (US) 2024-02-28 EP claimed
EP-4291557-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2023-12-20 EP claimed
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 CN claimed
CN-115611885-A N-substituted-5- ((4-substituted pyrimidin-2-yl) amino) -1H-indole-2-carboxamide derivatives 厦门大学 2023-01-17 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-9440978-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-09-13 US claimed
EP-2224929-B1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-05-04 EP claimed
US-20150197492-A1 NOVEL INDENO[1,2-c]QUINOLIN-11-ONE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-07-16 US claimed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US claimed
WO-2008064036-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-29 WO claimed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US claimed
US-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US claimed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
WO-2008002817-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
EP-1866293-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP claimed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP claimed
WO-2007048595-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2007-05-03 WO claimed
WO-2006103045-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA S.A. (BE) 2006-10-05 WO claimed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed

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-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 PHGDH 2352/4885MGLL 3048/4885HTR6 7/4885
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 PHGDH 2061/4885MGLL 2883/4885HTR6 6/4885
US-20150197492-A1 NOVEL INDENO[1,2-c]QUINOLIN-11-ONE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF TOP1, TOP2A, TOP2B PHGDH 1056/4885MGLL 3414/4885HTR6 1540/4885
US-20240150339-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE4B, PDE4C PHGDH 992/4885MGLL 1638/4885HTR6 2041/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 PHGDH 830/4885MGLL 4158/4885HTR6 3940/4885

“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.