SCHEMBL240624

SCHEMBL240624

Cc1ccc(N2CC[N]CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.57
MAPT P10636 8/20 0.47
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DHFR P00374 2/20 0.45
AKR1C3 P42330 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL2090278 0.92 ADRB1 (0.50) ADRB1MAPTLMNAL3MBTL1NPC1
SCHEMBL3414344 0.83 ADRB1 (0.70) ADRB1MAPTLMNAL3MBTL1NPC1
SCHEMBL10063748 0.83 ADRB1 (0.70) ADRB1MAPTLMNAL3MBTL1NPC1
SCHEMBL7105773 0.83 ADRB1 (0.70) ADRB1MAPTLMNAL3MBTL1NPC1
SCHEMBL9030925 0.80 ALDH1A1 (0.50) MAPTLMNAL3MBTL1NPC1RAB9A
SCHEMBL327765 0.78 ADRB1 (0.64) ADRB1MAPTLMNAL3MBTL1NPC1
SCHEMBL18118476 0.78 ADRB1 (0.64) ADRB1MAPTLMNAL3MBTL1NPC1
SCHEMBL3183333 0.77 AKR1C3 (0.44) MAPTALDH1A1USP2MEN1KMT2A
SCHEMBL662317 0.77 MAPT (0.52) MAPTLMNATDP1ALDH1A1MEN1
SCHEMBL7513534 0.77 LTA4H (0.47) ADRB1MAPTLMNAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
WO-2007045622-A1 OXAZOLO [4 , 5-B] PYRIDINE COMPOUNDS AS NITRIC OXIDE SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2007-04-26 WO claimed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 EP disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 WO disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-4788190-A 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal, antiallergy compounds SCHERING CORPORATION (US) 1988-11-29 US disclosed
EP-0278105-A1 2,4,4-Tri- and 2,2,4,4-tetra-substituted-1,3-dioxolane SCHERING CORPORATION (US) 1988-08-17 EP disclosed
WO-1988005048-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1988-07-14 WO disclosed
US-4593027-A 3-aryl-7-chloro-3,4-dihydroacridine-1,9(2H,10H)-dione 1-oximes and 1-hydrazone derivatives, their salts, a process for their preparation, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-03 US disclosed
EP-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 EP disclosed
US-4107437-A SEDATIVES, ANTIARRHYTHMIA AGENTS PARCOR (FR) 1978-08-15 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 (4 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ADRB1 136/4885MAPT 4848/4885LMNA 1739/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 ADRB1 1348/4885MAPT 4643/4885LMNA 2633/4885
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 ADRB1 746/4885MAPT 2459/4885LMNA 445/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP ADRB1 4294/4885MAPT 3364/4885LMNA 1429/4885

“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.