SCHEMBL905224

SCHEMBL905224

CC(C(=O)O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
OPRD1 P41143 8/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHKA P35790 1/20 0.35
OPRM1 P35372 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7591281 1.00 SIGMAR1 (0.44) SIGMAR1OPRD1CHRM5CHRM3CA2
SCHEMBL6804821 0.98 SIGMAR1 (0.43) SIGMAR1OPRD1CHRM5CHRM3CA2
Hydrochloric Acid SCHEMBL1184615 0.98 SIGMAR1 (0.43) SIGMAR1OPRD1CHRM5CHRM3CA2
SCHEMBL8795419 0.98 SIGMAR1 (0.43) SIGMAR1OPRD1CHRM5CHRM3CA2
SCHEMBL14100024 0.98 SIGMAR1 (0.43) SIGMAR1OPRD1CHRM5CHRM3CA2
SCHEMBL6423835 0.96 SIGMAR1 (0.42) SIGMAR1OPRD1CHRM5CHRM3CA2
Benzene SCHEMBL9148381 0.94 OPRD1 (0.44) SIGMAR1OPRD1CHRM5CHRM3CHRM2
SCHEMBL19716571 0.92 SIGMAR1 (0.43) SIGMAR1OPRD1CHRM5CHRM3CA2
SCHEMBL27536506 0.86 SIGMAR1 (0.46) SIGMAR1OPRD1CHRM5CHRM3CA2
SCHEMBL6642882 0.86 CHRM5 (0.50) SIGMAR1OPRD1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845444-B Dimethomorph hapten, artificial antigen and antibody, and preparation method and application thereof 北京勤邦生物技术有限公司 2022-05-13 CN claimed
CN-110845444-A Dimethomorph hapten, artificial antigen and antibody, and preparation method and application thereof 北京勤邦生物技术有限公司 2020-02-28 CN claimed
EP-2455080-A1 S1P1 receptor agonists for use in the treatment of multiple sclerosis Almirall, S.A. (ES) 2012-05-23 EP claimed
EP-2455081-A1 S1P1 receptor agonists for use in the treatment of crohn's disease Almirall, S.A. (ES) 2012-05-23 EP claimed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US claimed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP claimed
US-8017104-B2 diagnostic contrast agent comprising a water dispersible, near-infrared tricarbocyanine, enamine-functionalized dye having a Stoke shift of greater than 50 CARESTREAM HEALTH, INC. (US) 2011-09-13 US claimed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO claimed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP claimed
US-20080206886-A1 Large stoke shift dye used for optical imaging TROPHY DENTAL INC. 2008-08-28 US claimed
WO-2023140146-A1 POLISHING COMPOSITION, CONCENTRATED SOLUTION OF POLISHING COMPOSITION, AND POLISHING METHOD 株式会社フジミインコーポレーテッド 2023-07-27 WO disclosed
CN-116438177-A Targeted chimeric compounds, pharmaceutical compositions containing same, and preparation methods and uses thereof 江苏亚虹医药科技股份有限公司 2023-07-14 CN disclosed
EP-4048667-A1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS Alairion, Inc. (US) 2022-08-31 EP disclosed
CN-110845444-B Dimethomorph hapten, artificial antigen and antibody, and preparation method and application thereof 北京勤邦生物技术有限公司 2022-05-13 CN disclosed
CN-105829307-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2020-07-24 CN disclosed
EP-0282236-A1 Process for the preparation of a thiazepine compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-14 EP disclosed
US-4758652-A Process for preparing oligomers and telechels having carboxy-piperazine units, and new oligomers and telechels of poly(carboxypiperazine) BAYER AG (DE) 1988-07-19 US disclosed
EP-0224176-A1 Process for preparing oligomers and telechelics with carboxy-piperazine units, and oligomers and telechelics of poly(carboxypiperazine) BAYER AG (DE) 1987-06-03 EP disclosed
EP-0201340-A2 Toner composition and method for preparing the same Kao Corporation (JP) 1986-11-12 EP disclosed
US-3993694-A BACTERICIDE HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-23 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 (2 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 SIGMAR1 96/4885OPRD1 110/4885CHRM5 1041/4885
US-20080206886-A1 Large stoke shift dye used for optical imaging ESYT1, SLC7A5, ESYT2 SIGMAR1 1484/4885OPRD1 3335/4885CHRM5 694/4885

“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.